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

C16H16F3NO — CID 71758651

IUPAC2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(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
InChIKeyAEWYIHDASOFNPG-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.53
Rot. Bonds5

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

2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 71758651) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID71758651
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(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
InChIKeyAEWYIHDASOFNPG-UHFFFAOYSA-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

Benzyl alcohol, alpha-(phenethylamino)methyl-
CID 20118
alpha-((Cyclohexylamino)methyl)benzenemethanol
CID 23064
Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
2-{[(2-Methylphenyl)methyl]amino}-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647918
2-[({2-Hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl}amino)methyl]phenol
CID 23647921
2-(2,3-dihydro-1H-inden-2-ylamino)-1-phenylethanol
CID 2809736
2-(Benzylamino)-1-phenylethanol
CID 229746
Flerobuterol
CID 71254
2-[(4-Ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6459920
1-Phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride
CID 6464095
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethanol
CID 436348

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 71758651) is 2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol is OC(CNCc1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is AEWYIHDASOFNPG-UHFFFAOYSA-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.
What are the key properties of 2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol?
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 2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 71758651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).