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

• ChemBase ID: 310962
• Molecular Formular: C16H18FNO2
• Molecular Mass: 275.3180232
• Monoisotopic Mass: 275.13215704
• SMILES: c1(c(CNCc2ccc(F)cc2)cccc1OC)OC
• Canonical SMILES: COc1cccc(c1OC)CNCc1ccc(cc1)F
• InChI: InChI=1S/C16H18FNO2/c1-19-15-5-3-4-13(16(15)20-2)11-18-10-12-6-8-14(17)9-7-12/h3-9,18H,10-11H2,1-2H3
• InChIKey: WNGUYSAZLYGHJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 355382-48-8
• MDL Number: MFCD01135620

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.47377393
• LogD (pH = 7.4): 2.2005062
• Log P: 3.0834272
• Molar Refractivity: 77.0614 cm^3
• Polarizability: 29.810799 Å^3
• Polar Surface Area: 30.49 Å^2