(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol

C16H25NO3 — CID 171162272

IUPAC(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc([C@H](N)[C@H](O)C2CCCCC2)c1
InChIInChI=1S/C16H25NO3/c1-19-13-8-12(9-14(10-13)20-2)15(17)16(18)11-6-4-3-5-7-11/h8-11,15-16,18H,3-7,17H2,1-2H3/t15-,16+/m0/s1
InChIKeyIEEWMONHULHUBV-JKSUJKDBSA-N
MW279.38 g/mol
LogP2.64
Rot. Bonds5

About (1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol

(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol (PubChem CID 171162272) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol
PubChem CID171162272
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc([C@H](N)[C@H](O)C2CCCCC2)c1
InChIInChI=1S/C16H25NO3/c1-19-13-8-12(9-14(10-13)20-2)15(17)16(18)11-6-4-3-5-7-11/h8-11,15-16,18H,3-7,17H2,1-2H3/t15-,16+/m0/s1
InChIKeyIEEWMONHULHUBV-JKSUJKDBSA-N
XLogP2.64
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol 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

(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
cyclooctyl-(3,5-dimethoxyphenyl)methanamine
CID 80603608
(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol
CID 171267437
(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclopentylethanol;hydrochloride
CID 171267436
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methoxyphenol
CID 171261289
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol
CID 171160225
[cyclooctyl-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105255192
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride
CID 171262445
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-ditert-butylphenol;hydrochloride
CID 171160610
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol;hydrochloride
CID 171160226

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol (CID 171162272) is (1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol is COc1cc(OC)cc([C@H](N)[C@H](O)C2CCCCC2)c1.
What is the InChIKey of (1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol?
The InChIKey is IEEWMONHULHUBV-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H25NO3/c1-19-13-8-12(9-14(10-13)20-2)15(17)16(18)11-6-4-3-5-7-11/h8-11,15-16,18H,3-7,17H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol?
(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 171162272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).