[(3,4-dimethoxyphenyl)methyl][(2-fluorophenyl)methyl]amine

• ChemBase ID: 311057
• Molecular Formular: C16H18FNO2
• Molecular Mass: 275.3180232
• Monoisotopic Mass: 275.13215704
• SMILES: c1(c(ccc(c1)CNCc1c(F)cccc1)OC)OC
• Canonical SMILES: COc1cc(CNCc2ccccc2F)ccc1OC
• InChI: InChI=1S/C16H18FNO2/c1-19-15-8-7-12(9-16(15)20-2)10-18-11-13-5-3-4-6-14(13)17/h3-9,18H,10-11H2,1-2H3
• InChIKey: SYNXVLNJFVMICD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dimethoxyphenyl)methyl][(2-fluorophenyl)methyl]amine
• IUPAC Traditional name: [(3,4-dimethoxyphenyl)methyl][(2-fluorophenyl)methyl]amine
• Synonyms: (3,4-dimethoxybenzyl)(2-fluorobenzyl)amine

Database IDs

• CAS Number: 418789-49-8
• MDL Number: MFCD01135734

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.51242334
• LogD (pH = 7.4): 2.2433398
• Log P: 3.0834272
• Molar Refractivity: 77.0614 cm^3
• Polarizability: 29.810415 Å^3
• Polar Surface Area: 30.49 Å^2