(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol

C15H20F3NO — CID 171160385

IUPAC(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](c1ccc(C(F)(F)F)cc1)[C@@H](O)C1CCCCC1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)12-8-6-10(7-9-12)13(19)14(20)11-4-2-1-3-5-11/h6-9,11,13-14,20H,1-5,19H2/t13-,14+/m1/s1
InChIKeyPLEVZMLURIWQGR-KGLIPLIRSA-N
MW287.32 g/mol
LogP3.65
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol

(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 171160385) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID171160385
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](c1ccc(C(F)(F)F)cc1)[C@@H](O)C1CCCCC1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)12-8-6-10(7-9-12)13(19)14(20)11-4-2-1-3-5-11/h6-9,11,13-14,20H,1-5,19H2/t13-,14+/m1/s1
InChIKeyPLEVZMLURIWQGR-KGLIPLIRSA-N
XLogP3.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
CID 171162507
cyclooctyl-[4-(trifluoromethyl)phenyl]methanol
CID 80603410
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
(1R,2S)-2-amino-1-cyclohexyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171268935
(1S,2R)-2-amino-1-cyclohexyl-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 171263233
(1R,2S)-2-amino-2-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylethanol;hydrochloride
CID 171161877
(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol
CID 171160024
cyclobutyl-[4-(trifluoromethyl)phenyl]methanol
CID 64986363
(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171161458
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171263151
(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268471
(1S,2R)-2-amino-1-cyclopentyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171159865

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol (CID 171160385) is (1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol is N[C@H](c1ccc(C(F)(F)F)cc1)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is PLEVZMLURIWQGR-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)12-8-6-10(7-9-12)13(19)14(20)11-4-2-1-3-5-11/h6-9,11,13-14,20H,1-5,19H2/t13-,14+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol?
(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 287.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 171160385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).