(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol

C15H22FNO2 — CID 171268315

IUPAC(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc([C@H](N)[C@H](O)C2CCCCC2)c1F
InChIInChI=1S/C15H22FNO2/c1-19-12-9-5-8-11(13(12)16)14(17)15(18)10-6-3-2-4-7-10/h5,8-10,14-15,18H,2-4,6-7,17H2,1H3/t14-,15+/m0/s1
InChIKeyFGCHPHCZWCXGPY-LSDHHAIUSA-N
MW267.34 g/mol
LogP2.78
Rot. Bonds4

About (1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol

(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol (PubChem CID 171268315) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
PubChem CID171268315
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc([C@H](N)[C@H](O)C2CCCCC2)c1F
InChIInChI=1S/C15H22FNO2/c1-19-12-9-5-8-11(13(12)16)14(17)15(18)10-6-3-2-4-7-10/h5,8-10,14-15,18H,2-4,6-7,17H2,1H3/t14-,15+/m0/s1
InChIKeyFGCHPHCZWCXGPY-LSDHHAIUSA-N
XLogP2.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
CID 82808519
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethoxyphenyl)ethanol;hydrochloride
CID 171267091
(1R,2S)-2-amino-1-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171268203
(1R,2S)-2-amino-1-cyclopentyl-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 171270206
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol
CID 171269957
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171261508
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
(1S,2R)-2-amino-1-cyclobutyl-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 171264528
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol (CID 171268315) is (1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol is COc1cccc([C@H](N)[C@H](O)C2CCCCC2)c1F.
What is the InChIKey of (1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol?
The InChIKey is FGCHPHCZWCXGPY-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-19-12-9-5-8-11(13(12)16)14(17)15(18)10-6-3-2-4-7-10/h5,8-10,14-15,18H,2-4,6-7,17H2,1H3/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol?
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol has a molecular weight of 267.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol is sourced from PubChem (CID 171268315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).