[(2,3-dimethoxyphenyl)methyl][(2-fluorophenyl)methyl]amine

• ChemBase ID: 310912
• Molecular Formular: C16H18FNO2
• Molecular Mass: 275.3180232
• Monoisotopic Mass: 275.13215704
• SMILES: c1(c(CNCc2c(F)cccc2)cccc1OC)OC
• Canonical SMILES: COc1c(CNCc2ccccc2F)cccc1OC
• InChI: InChI=1S/C16H18FNO2/c1-19-15-9-5-7-13(16(15)20-2)11-18-10-12-6-3-4-8-14(12)17/h3-9,18H,10-11H2,1-2H3
• InChIKey: VHGVDPHBVJBZFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,3-dimethoxyphenyl)methyl][(2-fluorophenyl)methyl]amine
• IUPAC Traditional name: [(2,3-dimethoxyphenyl)methyl][(2-fluorophenyl)methyl]amine
• Synonyms: (2,3-dimethoxybenzyl)(2-fluorobenzyl)amine

Database IDs

• CAS Number: 355382-01-3
• MDL Number: MFCD01135389

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.87759745
• LogD (pH = 7.4): 2.5770307
• Log P: 3.0834272
• Molar Refractivity: 77.0614 cm^3
• Polarizability: 29.810652 Å^3
• Polar Surface Area: 30.49 Å^2