(1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol

C21H26ClNO — CID 92858666

IUPAC(1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol
SMILESO[C@@H](CN(Cc1ccccc1)C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO/c22-19-13-11-18(12-14-19)21(24)16-23(20-9-5-2-6-10-20)15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,20-21,24H,2,5-6,9-10,15-16H2/t21-/m0/s1
InChIKeyORLHMXYPJWTLGW-NRFANRHFSA-N
MW343.90 g/mol
LogP5.21
Rot. Bonds6

About (1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol

(1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol (PubChem CID 92858666) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is (1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol
PubChem CID92858666
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name(1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol
SMILESO[C@@H](CN(Cc1ccccc1)C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO/c22-19-13-11-18(12-14-19)21(24)16-23(20-9-5-2-6-10-20)15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,20-21,24H,2,5-6,9-10,15-16H2/t21-/m0/s1
InChIKeyORLHMXYPJWTLGW-NRFANRHFSA-N
XLogP5.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
N,N-dibenzylcyclobutanamine
CID 70822586
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
1-(4-chlorophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62629823
2-[cyclopentyl-(2-hydroxy-2-phenylethyl)amino]acetamide
CID 47284555
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
2-[[[(2R)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-cyclohexylamino]methyl]phenol
CID 7872369
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
1-[[(6S)-6-[benzyl-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]propan-2-one
CID 18658924
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol?
The IUPAC name of (1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol (CID 92858666) is (1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol?
The canonical SMILES for (1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol is O[C@@H](CN(Cc1ccccc1)C1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol?
The InChIKey is ORLHMXYPJWTLGW-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26ClNO/c22-19-13-11-18(12-14-19)21(24)16-23(20-9-5-2-6-10-20)15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,20-21,24H,2,5-6,9-10,15-16H2/t21-/m0/s1.
What are the key properties of (1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol?
(1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol has a molecular weight of 343.90 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 92858666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).