(2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol

C15H20F3NO — CID 107862308

IUPAC(2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
SMILESOC[C@@H](NC1CCCCC1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)12-8-4-5-9-13(12)19-14(10-20)11-6-2-1-3-7-11/h1-3,6-7,12-14,19-20H,4-5,8-10H2/t12?,13?,14-/m1/s1
InChIKeyZFROSLOCRVBLKL-JXQTWKCFSA-N
MW287.32 g/mol
LogP3.43
Rot. Bonds4

About (2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol

(2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol (PubChem CID 107862308) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
PubChem CID107862308
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
SMILESOC[C@@H](NC1CCCCC1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)12-8-4-5-9-13(12)19-14(10-20)11-6-2-1-3-7-11/h1-3,6-7,12-14,19-20H,4-5,8-10H2/t12?,13?,14-/m1/s1
InChIKeyZFROSLOCRVBLKL-JXQTWKCFSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]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

2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759908
2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
CID 63183129
2-[(2-hydroxy-1-phenylethyl)amino]cycloheptane-1-carbonitrile
CID 55159617
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
CID 103913967
2-(2-bicyclo[2.2.1]heptanylamino)-2-phenylethanol
CID 63182183
(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol
CID 107862596
[2-(1-phenylpropylamino)cyclohexyl]methanol
CID 113261894
(2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol
CID 15474643
(2S)-2-[(1,1-dioxothian-4-yl)amino]-2-phenylethanol
CID 114010168
4-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 106348813
(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
CID 107862211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol (CID 107862308) is (2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol is OC[C@@H](NC1CCCCC1C(F)(F)F)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol?
The InChIKey is ZFROSLOCRVBLKL-JXQTWKCFSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)12-8-4-5-9-13(12)19-14(10-20)11-6-2-1-3-7-11/h1-3,6-7,12-14,19-20H,4-5,8-10H2/t12?,13?,14-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol?
(2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol has a molecular weight of 287.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol is sourced from PubChem (CID 107862308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).