(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol

C15H23NO2 — CID 70378403

IUPAC(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCOc1cccc([C@H](CN)C2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H23NO2/c1-18-12-6-4-5-11(9-12)14(10-16)13-7-2-3-8-15(13)17/h4-6,9,13-15,17H,2-3,7-8,10,16H2,1H3/t13?,14-,15-/m0/s1
InChIKeyCPGBXSRZOWGTGB-FGRDXJNISA-N
MW249.35 g/mol
LogP2.29
Rot. Bonds4

About (1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol

(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol (PubChem CID 70378403) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
PubChem CID70378403
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCOc1cccc([C@H](CN)C2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H23NO2/c1-18-12-6-4-5-11(9-12)14(10-16)13-7-2-3-8-15(13)17/h4-6,9,13-15,17H,2-3,7-8,10,16H2,1H3/t13?,14-,15-/m0/s1
InChIKeyCPGBXSRZOWGTGB-FGRDXJNISA-N
XLogP2.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 21317833
cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 70600998
2-cyclopentyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 79019406
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
2-(cyclohexylmethoxy)-2-(3-methoxyphenyl)ethanamine
CID 62383844
(1S,5R)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304184
(1S,5S)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304186
2-cyclopropyl-1-(3-methoxyphenyl)propan-1-amine
CID 115785759
[cyclohexyl-(3-methoxyphenyl)methyl]hydrazine
CID 105191678
N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine
CID 82937261
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine
CID 16642768
N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 16783431

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of (1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol (CID 70378403) is (1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for (1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for (1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol is COc1cccc([C@H](CN)C2CCCC[C@@H]2O)c1.
What is the InChIKey of (1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol?
The InChIKey is CPGBXSRZOWGTGB-FGRDXJNISA-N. The full InChI is InChI=1S/C15H23NO2/c1-18-12-6-4-5-11(9-12)14(10-16)13-7-2-3-8-15(13)17/h4-6,9,13-15,17H,2-3,7-8,10,16H2,1H3/t13?,14-,15-/m0/s1.
What are the key properties of (1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol?
(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 70378403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).