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

C15H23ClFNO2 — CID 171159983

IUPAC(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)c(F)c1.Cl
InChIInChI=1S/C15H22FNO2.ClH/c1-19-11-7-8-12(13(16)9-11)14(17)15(18)10-5-3-2-4-6-10;/h7-10,14-15,18H,2-6,17H2,1H3;1H/t14-,15+;/m1./s1
InChIKeyBMCWVLGIGCPWPI-LIOBNPLQSA-N
MW303.81 g/mol
LogP3.20
Rot. Bonds4

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

(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride (PubChem CID 171159983) has the molecular formula C15H23ClFNO2 and a molecular weight of 303.81 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride
PubChem CID171159983
Molecular FormulaC15H23ClFNO2
Molecular Weight303.81 g/mol
Exact Mass303.14
IUPAC Name(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)c(F)c1.Cl
InChIInChI=1S/C15H22FNO2.ClH/c1-19-11-7-8-12(13(16)9-11)14(17)15(18)10-5-3-2-4-6-10;/h7-10,14-15,18H,2-6,17H2,1H3;1H/t14-,15+;/m1./s1
InChIKeyBMCWVLGIGCPWPI-LIOBNPLQSA-N
XLogP3.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171159980
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171161417
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171161479
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171160046
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171161475
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-5-methoxyphenyl)ethanol
CID 171161474
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methoxyphenol
CID 171261289
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-4-methoxyphenol;hydrochloride
CID 171261853
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-5-methoxyphenyl)ethanol
CID 171161480
(1S,2R)-2-amino-1-cyclobutyl-2-(2,4-dimethoxyphenyl)ethanol
CID 171161039
1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443330

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride (CID 171159983) is (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride is COc1ccc([C@@H](N)[C@@H](O)C2CCCCC2)c(F)c1.Cl.
What is the InChIKey of (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride?
The InChIKey is BMCWVLGIGCPWPI-LIOBNPLQSA-N. The full InChI is InChI=1S/C15H22FNO2.ClH/c1-19-11-7-8-12(13(16)9-11)14(17)15(18)10-5-3-2-4-6-10;/h7-10,14-15,18H,2-6,17H2,1H3;1H/t14-,15+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride has a molecular weight of 303.81 g/mol, XLogP of 3.20, 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-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171159983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).