(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol

C15H23NO — CID 146913887

IUPAC(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
SMILESCc1ccc([C@H](N)[C@H](O)C2CCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-11-7-9-12(10-8-11)14(16)15(17)13-5-3-2-4-6-13/h7-10,13-15,17H,2-6,16H2,1H3/t14-,15+/m0/s1
InChIKeyABVJZVDBCPOHMU-LSDHHAIUSA-N
MW233.36 g/mol
LogP2.94
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol

(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol (PubChem CID 146913887) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
PubChem CID146913887
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
SMILESCc1ccc([C@H](N)[C@H](O)C2CCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-11-7-9-12(10-8-11)14(16)15(17)13-5-3-2-4-6-13/h7-10,13-15,17H,2-6,16H2,1H3/t14-,15+/m0/s1
InChIKeyABVJZVDBCPOHMU-LSDHHAIUSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
CID 171162507
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
CID 171162391
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 171160385
(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
(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
N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide
CID 171262963
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride
CID 171262445
(1S,2R)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171261250

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol (CID 146913887) is (1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol is Cc1ccc([C@H](N)[C@H](O)C2CCCCC2)cc1.
What is the InChIKey of (1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol?
The InChIKey is ABVJZVDBCPOHMU-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-7-9-12(10-8-11)14(16)15(17)13-5-3-2-4-6-13/h7-10,13-15,17H,2-6,16H2,1H3/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol?
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol has a molecular weight of 233.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 146913887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).