(2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol

C16H16F3NO — CID 103922964

IUPAC(2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol
SMILESOC[C@@H](NCc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-9-5-4-8-13(14)10-20-15(11-21)12-6-2-1-3-7-12/h1-9,15,20-21H,10-11H2/t15-/m1/s1
InChIKeyANJCIUFPPUCOJW-OAHLLOKOSA-N
MW295.30 g/mol
LogP3.53
Rot. Bonds5

About (2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol

(2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol (PubChem CID 103922964) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol
PubChem CID103922964
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol
SMILESOC[C@@H](NCc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-9-5-4-8-13(14)10-20-15(11-21)12-6-2-1-3-7-12/h1-9,15,20-21H,10-11H2/t15-/m1/s1
InChIKeyANJCIUFPPUCOJW-OAHLLOKOSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]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-[(2-bromophenyl)methylamino]-2-phenylethanol
CID 6613037
(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 51690870
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 61240689
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
CID 95026876
2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol
CID 114750493
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744
methyl 2-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]benzoate
CID 103922980
3-hydroxy-2-[[2-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 82364502
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 25233734
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077
(1R)-1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 81348504
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60944396

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol (CID 103922964) is (2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol is OC[C@@H](NCc1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol?
The InChIKey is ANJCIUFPPUCOJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)14-9-5-4-8-13(14)10-20-15(11-21)12-6-2-1-3-7-12/h1-9,15,20-21H,10-11H2/t15-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol?
(2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol has a molecular weight of 295.30 g/mol, XLogP of 3.53, 5 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)phenyl]methylamino]ethanol is sourced from PubChem (CID 103922964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).