(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride

C15H24ClNO2 — CID 171160552

IUPAC(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)cc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-18-13-9-7-11(8-10-13)14(16)15(17)12-5-3-2-4-6-12;/h7-10,12,14-15,17H,2-6,16H2,1H3;1H/t14-,15+;/m1./s1
InChIKeyWIHQTGCUDFMWPJ-LIOBNPLQSA-N
MW285.82 g/mol
LogP3.06
Rot. Bonds4

About (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride (PubChem CID 171160552) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
PubChem CID171160552
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)cc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-18-13-9-7-11(8-10-13)14(16)15(17)12-5-3-2-4-6-12;/h7-10,12,14-15,17H,2-6,16H2,1H3;1H/t14-,15+;/m1./s1
InChIKeyWIHQTGCUDFMWPJ-LIOBNPLQSA-N
XLogP3.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 75106370
(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride
CID 171263207
(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268471
(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol
CID 171162272
3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185399
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
3-amino-1-cyclopentyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185701
(1R,2S)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
CID 171269374
(1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
CID 171263701
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171159983

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride (CID 171160552) is (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride is COc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)cc1.Cl.
What is the InChIKey of (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride?
The InChIKey is WIHQTGCUDFMWPJ-LIOBNPLQSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-18-13-9-7-11(8-10-13)14(16)15(17)12-5-3-2-4-6-12;/h7-10,12,14-15,17H,2-6,16H2,1H3;1H/t14-,15+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171160552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).