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Phenylbutylamines

Phenylbutylamines

Organic compounds that contain a phenyl ring with a butyl group bonded to an amino functional group.
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1 – 15 of 35 results
1

Verapamil hydrochloride, Tocris Bioscience™
GREENER_CHOICE

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

PubChem CID 62969
CAS 152-11-4
Molecular Weight (g/mol) 491.069
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula C27H39ClN2O4
2

SSR 146977 hydrochloride, Tocris Bioscience™
GREENER_CHOICE

CAS: 264618-38-4 Molecular Formula: C35H43Cl3N4O2 Molecular Weight (g/mol): 658.105 InChI Key: HYPKKQPFHSNZBY-GXUZKUJRSA-N Synonym: ssr 146977 hydrochloride,ssr 146977 hydrochloride/ssr-146977,n1-1-3-3r-1-benzoyl-3-3-3,4-dichlorophenyl-3-piperidinyl propyl-4-phenyl-piperidinyl-n,n-dimethylurea hydrochloride PubChem CID: 90488827 IUPAC Name: 3-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-1,1-dimethylurea;hydrochloride SMILES: CN(C)C(=O)NC1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5.Cl

PubChem CID 90488827
CAS 264618-38-4
Molecular Weight (g/mol) 658.105
SMILES CN(C)C(=O)NC1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5.Cl
Synonym ssr 146977 hydrochloride,ssr 146977 hydrochloride/ssr-146977,n1-1-3-3r-1-benzoyl-3-3-3,4-dichlorophenyl-3-piperidinyl propyl-4-phenyl-piperidinyl-n,n-dimethylurea hydrochloride
IUPAC Name 3-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-1,1-dimethylurea;hydrochloride
InChI Key HYPKKQPFHSNZBY-GXUZKUJRSA-N
Molecular Formula C35H43Cl3N4O2
3

Verapamil Hydrochloride, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.07 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYNA-N IUPAC Name: hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride SMILES: [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC

CAS 152-11-4
Molecular Weight (g/mol) 491.07
SMILES [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC
IUPAC Name hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYNA-N
Molecular Formula C27H39ClN2O4
4

(±)-Verapamil Hydrochloride, MP Biomedicals™

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

PubChem CID 62969
CAS 152-11-4
Molecular Weight (g/mol) 491.069
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula C27H39ClN2O4
5

Ibutilide Hemifumarate 98.0+%, TCI America™
SDP

CAS: 122647-32-9 Molecular Formula: C44H76N4O10S2 Molecular Weight (g/mol): 885.23 MDL Number: MFCD01715410 InChI Key: PCIOHQNIRPWFMV-WXXKFALUNA-N Synonym: ibutilide fumarate,corvert,ibutilide fumarate usan,ibutilide hemifumarate,ibutilide hemifumarate salt,corvert tn,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfoanilide e-2-butenedioate 2:1,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfonanilide fumarate 2:1 salt,+--n-4-4-ethylheptylamino-1-hydroxybutyl phenyl methanesulfonamide e-butenedioate PubChem CID: 5281065 IUPAC Name: (2E)-but-2-enedioic acid; bis(N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide) SMILES: OC(=O)\C=C\C(O)=O.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1

PubChem CID 5281065
CAS 122647-32-9
Molecular Weight (g/mol) 885.23
MDL Number MFCD01715410
SMILES OC(=O)\C=C\C(O)=O.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
Synonym ibutilide fumarate,corvert,ibutilide fumarate usan,ibutilide hemifumarate,ibutilide hemifumarate salt,corvert tn,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfoanilide e-2-butenedioate 2:1,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfonanilide fumarate 2:1 salt,+--n-4-4-ethylheptylamino-1-hydroxybutyl phenyl methanesulfonamide e-butenedioate
IUPAC Name (2E)-but-2-enedioic acid; bis(N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide)
InChI Key PCIOHQNIRPWFMV-WXXKFALUNA-N
Molecular Formula C44H76N4O10S2
6

4-Phenylbutylamine 98.0+%, TCI America™
SDP

CAS: 13214-66-9 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00008231 InChI Key: AGNFWIZBEATIAK-UHFFFAOYSA-N Synonym: 1-Amino-4-phenylbutane PubChem CID: 83242 IUPAC Name: 4-phenylbutan-1-amine SMILES: C1=CC=C(C=C1)CCCCN

PubChem CID 83242
CAS 13214-66-9
Molecular Weight (g/mol) 149.237
MDL Number MFCD00008231
SMILES C1=CC=C(C=C1)CCCCN
Synonym 1-Amino-4-phenylbutane
IUPAC Name 4-phenylbutan-1-amine
InChI Key AGNFWIZBEATIAK-UHFFFAOYSA-N
Molecular Formula C10H15N
7

Butoconazole Nitrate 98.0+%, TCI America™
SDP

CAS: 64872-77-1 Molecular Formula: C19H18Cl3N3O3S Molecular Weight (g/mol): 474.781 MDL Number: MFCD00058159 InChI Key: ZHPWRQIPPNZNML-UHFFFAOYSA-N Synonym: 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate PubChem CID: 47471 ChEBI: CHEBI:3241 IUPAC Name: 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid SMILES: C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]

PubChem CID 47471
CAS 64872-77-1
Molecular Weight (g/mol) 474.781
ChEBI CHEBI:3241
MDL Number MFCD00058159
SMILES C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]
Synonym 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate
IUPAC Name 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid
InChI Key ZHPWRQIPPNZNML-UHFFFAOYSA-N
Molecular Formula C19H18Cl3N3O3S
8

(S)-Citalopram Oxalate 98.0+%, TCI America™
SDP

CAS: 219861-08-2 Molecular Formula: C22H23FN2O5 Molecular Weight (g/mol): 414.433 MDL Number: MFCD06407826 InChI Key: KTGRHKOEFSJQNS-BDQAORGHSA-N Synonym: escitalopram oxalate,lexapro,cipralex,s-citalopram oxalate,citalopram oxalate,unii-5u85dbw7lo,5u85dbw7lo,s-+-citalopram oxalate,s-1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile oxalate PubChem CID: 146571 IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

PubChem CID 146571
CAS 219861-08-2
Molecular Weight (g/mol) 414.433
MDL Number MFCD06407826
SMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O
Synonym escitalopram oxalate,lexapro,cipralex,s-citalopram oxalate,citalopram oxalate,unii-5u85dbw7lo,5u85dbw7lo,s-+-citalopram oxalate,s-1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile oxalate
IUPAC Name (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid
InChI Key KTGRHKOEFSJQNS-BDQAORGHSA-N
Molecular Formula C22H23FN2O5
9

Verapamil hydrochloride, 99.9%, MP Biomedicals™

CAS: 52-53-9 Molecular Formula: C27H38N2O4 Molecular Weight (g/mol): 454.611 InChI Key: SGTNSNPWRIOYBX-UHFFFAOYSA-N Synonym: verapamil,iproveratril,vasolan,dilacoran,isoptin,cordilox,calan,verapamilo,verapamilum,falicard PubChem CID: 2520 ChEBI: CHEBI:77733 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC

PubChem CID 2520
CAS 52-53-9
Molecular Weight (g/mol) 454.611
ChEBI CHEBI:77733
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
Synonym verapamil,iproveratril,vasolan,dilacoran,isoptin,cordilox,calan,verapamilo,verapamilum,falicard
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
InChI Key SGTNSNPWRIOYBX-UHFFFAOYSA-N
Molecular Formula C27H38N2O4
10

Verapamil Hydrochloride 98.0+%, TCI America™
SDP

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

PubChem CID 62969
CAS 152-11-4
Molecular Weight (g/mol) 491.069
MDL Number MFCD00055208
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula C27H39ClN2O4
11

Escitalopram oxalate, Tocris Bioscience™
GREENER_CHOICE

CAS: 219861-08-2 Molecular Formula: C22H23FN2O5 Molecular Weight (g/mol): 414.433 InChI Key: KTGRHKOEFSJQNS-BDQAORGHSA-N Synonym: escitalopram oxalate,lexapro,cipralex,s-citalopram oxalate,citalopram oxalate,unii-5u85dbw7lo,5u85dbw7lo,s-+-citalopram oxalate,s-1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile oxalate PubChem CID: 146571 IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

PubChem CID 146571
CAS 219861-08-2
Molecular Weight (g/mol) 414.433
SMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O
Synonym escitalopram oxalate,lexapro,cipralex,s-citalopram oxalate,citalopram oxalate,unii-5u85dbw7lo,5u85dbw7lo,s-+-citalopram oxalate,s-1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile oxalate
IUPAC Name (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid
InChI Key KTGRHKOEFSJQNS-BDQAORGHSA-N
Molecular Formula C22H23FN2O5
12

Citalopram hydrobromide, Tocris Bioscience™
GREENER_CHOICE

CAS: 59729-32-7 Molecular Formula: C20H22BrFN2O Molecular Weight (g/mol): 405.311 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

PubChem CID 77995
CAS 59729-32-7
Molecular Weight (g/mol) 405.311
SMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
Synonym citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan
IUPAC Name 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
InChI Key WIHMBLDNRMIGDW-UHFFFAOYSA-N
Molecular Formula C20H22BrFN2O
13

(+/-)-Verapamil hydrochloride, 99+%, Thermo Scientific Chemicals

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

PubChem CID 62969
CAS 152-11-4
Molecular Weight (g/mol) 491.069
MDL Number MFCD00055208
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula C27H39ClN2O4
14

4-Phenylbutylamine Hydrochloride 98.0+%, TCI America™
SDP

CAS: 30684-06-1 Molecular Formula: C10H16ClN Molecular Weight (g/mol): 185.695 MDL Number: MFCD03093616 InChI Key: DGDORWAJHREUEO-UHFFFAOYSA-N Synonym: 1-Amino-4-phenylbutane Hydrochloride PubChem CID: 44630065 IUPAC Name: 4-phenylbutan-1-amine;hydrochloride SMILES: C1=CC=C(C=C1)CCCCN.Cl

PubChem CID 44630065
CAS 30684-06-1
Molecular Weight (g/mol) 185.695
MDL Number MFCD03093616
SMILES C1=CC=C(C=C1)CCCCN.Cl
Synonym 1-Amino-4-phenylbutane Hydrochloride
IUPAC Name 4-phenylbutan-1-amine;hydrochloride
InChI Key DGDORWAJHREUEO-UHFFFAOYSA-N
Molecular Formula C10H16ClN
15

Tebuconazole 98.0+%, TCI America™
SDP

CAS: 107534-96-3 Molecular Formula: C16H22ClN3O Molecular Weight (g/mol): 307.82 MDL Number: MFCD02674797 InChI Key: PXMNMQRDXWABCY-UHFFFAOYNA-N Synonym: tebuconazole,folicur,fenetrazole,ethyltrianol,terbuconazole,terbutrazole,etiltrianol,elite,raxil,preventol a 8 PubChem CID: 86102 ChEBI: CHEBI:83779 IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol SMILES: CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1

PubChem CID 86102
CAS 107534-96-3
Molecular Weight (g/mol) 307.82
ChEBI CHEBI:83779
MDL Number MFCD02674797
SMILES CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1
Synonym tebuconazole,folicur,fenetrazole,ethyltrianol,terbuconazole,terbutrazole,etiltrianol,elite,raxil,preventol a 8
IUPAC Name 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol
InChI Key PXMNMQRDXWABCY-UHFFFAOYNA-N
Molecular Formula C16H22ClN3O