[(2-methoxyphenyl)methyl]({[2-(trifluoromethyl)phenyl]methyl})amine

• ChemBase ID: 310848
• Molecular Formular: C16H16F3NO
• Molecular Mass: 295.2995496
• Monoisotopic Mass: 295.1183988
• SMILES: C(c1c(CNCc2c(OC)cccc2)cccc1)(F)(F)F
• Canonical SMILES: COc1ccccc1CNCc1ccccc1C(F)(F)F
• InChI: InChI=1S/C16H16F3NO/c1-21-15-9-5-3-7-13(15)11-20-10-12-6-2-4-8-14(12)16(17,18)19/h2-9,20H,10-11H2,1H3
• InChIKey: CSUHDGAPKMYVHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxyphenyl)methyl]({[2-(trifluoromethyl)phenyl]methyl})amine
• IUPAC Traditional name: [(2-methoxyphenyl)methyl]({[2-(trifluoromethyl)phenyl]methyl})amine
• Synonyms: (2-methoxybenzyl)[2-(trifluoromethyl)benzyl]amine

Database IDs

• CAS Number: 416890-50-1
• MDL Number: MFCD01135053

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2832747
• LogD (pH = 7.4): 2.9945564
• Log P: 3.976245
• Molar Refractivity: 76.3555 cm^3
• Polarizability: 28.60896 Å^3
• Polar Surface Area: 21.26 Å^2