(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol

C16H16F3NO — CID 94190174

IUPAC(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESO[C@@H](CNCc1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-9-5-4-8-13(14)15(21)11-20-10-12-6-2-1-3-7-12/h1-9,15,20-21H,10-11H2/t15-/m0/s1
InChIKeyAEWYIHDASOFNPG-HNNXBMFYSA-N
MW295.30 g/mol
LogP3.53
Rot. Bonds5

About (1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol

(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 94190174) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID94190174
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESO[C@@H](CNCc1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-9-5-4-8-13(14)15(21)11-20-10-12-6-2-1-3-7-12/h1-9,15,20-21H,10-11H2/t15-/m0/s1
InChIKeyAEWYIHDASOFNPG-HNNXBMFYSA-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

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Related Compounds

5-[[[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]amino]methyl]-2-methoxyphenol
CID 95260955
2-(benzylamino)-1-naphthalen-1-ylethanol
CID 126801118
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 94800676
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 94810445
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 75364314
2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 94190174) is (1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol is O[C@@H](CNCc1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of (1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is AEWYIHDASOFNPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)14-9-5-4-8-13(14)15(21)11-20-10-12-6-2-1-3-7-12/h1-9,15,20-21H,10-11H2/t15-/m0/s1.
What are the key properties of (1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol?
(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]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 (1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 94190174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).