[(3,4-dimethoxyphenyl)methyl][(4-fluorophenyl)methyl]amine

• ChemBase ID: 310910
• Molecular Formular: C16H18FNO2
• Molecular Mass: 275.3180232
• Monoisotopic Mass: 275.13215704
• SMILES: c1(c(ccc(c1)CNCc1ccc(F)cc1)OC)OC
• Canonical SMILES: COc1cc(CNCc2ccc(cc2)F)ccc1OC
• InChI: InChI=1S/C16H18FNO2/c1-19-15-8-5-13(9-16(15)20-2)11-18-10-12-3-6-14(17)7-4-12/h3-9,18H,10-11H2,1-2H3
• InChIKey: BXYUQSLIZBQBAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dimethoxyphenyl)methyl][(4-fluorophenyl)methyl]amine
• IUPAC Traditional name: [(3,4-dimethoxyphenyl)methyl][(4-fluorophenyl)methyl]amine
• Synonyms: (3,4-dimethoxybenzyl)(4-fluorobenzyl)amine

Database IDs

• CAS Number: 346694-18-6
• MDL Number: MFCD01056042

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.16638999
• LogD (pH = 7.4): 1.7719789
• Log P: 3.0834272
• Molar Refractivity: 77.0614 cm^3
• Polarizability: 29.810564 Å^3
• Polar Surface Area: 30.49 Å^2