(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride

C16H26ClNO3 — CID 171162193

IUPAC(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc([C@H](N)[C@H](O)C2CCCCC2)cc1OC.Cl
InChIInChI=1S/C16H25NO3.ClH/c1-19-13-9-8-12(10-14(13)20-2)15(17)16(18)11-6-4-3-5-7-11;/h8-11,15-16,18H,3-7,17H2,1-2H3;1H/t15-,16+;/m0./s1
InChIKeyGQAYACIRWFUOIN-IDVLALEDSA-N
MW315.84 g/mol
LogP3.07
Rot. Bonds5

About (1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride

(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride (PubChem CID 171162193) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
PubChem CID171162193
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc([C@H](N)[C@H](O)C2CCCCC2)cc1OC.Cl
InChIInChI=1S/C16H25NO3.ClH/c1-19-13-9-8-12(10-14(13)20-2)15(17)16(18)11-6-4-3-5-7-11;/h8-11,15-16,18H,3-7,17H2,1-2H3;1H/t15-,16+;/m0./s1
InChIKeyGQAYACIRWFUOIN-IDVLALEDSA-N
XLogP3.07
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-amino-1-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)ethanol;hydrochloride
CID 171159905
5-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-2-methoxyphenol;hydrochloride
CID 171160739
(1R,2S)-2-amino-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937
(1S,2R)-2-amino-1-cyclopentyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol;hydrochloride
CID 171264858
(1R,2S)-2-amino-1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161939
(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
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol
CID 171160742
2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine
CID 83155157
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374
(1S,2R)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171261620

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride (CID 171162193) is (1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride is COc1ccc([C@H](N)[C@H](O)C2CCCCC2)cc1OC.Cl.
What is the InChIKey of (1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride?
The InChIKey is GQAYACIRWFUOIN-IDVLALEDSA-N. The full InChI is InChI=1S/C16H25NO3.ClH/c1-19-13-9-8-12(10-14(13)20-2)15(17)16(18)11-6-4-3-5-7-11;/h8-11,15-16,18H,3-7,17H2,1-2H3;1H/t15-,16+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride?
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 3.07, 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-(3,4-dimethoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171162193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).