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

• ChemBase ID: 310965
• Molecular Formular: C17H20FNO2
• Molecular Mass: 289.3446032
• Monoisotopic Mass: 289.14780711
• SMILES: c1(c(CNCCc2ccc(F)cc2)cccc1OC)OC
• Canonical SMILES: COc1cccc(c1OC)CNCCc1ccc(cc1)F
• InChI: InChI=1S/C17H20FNO2/c1-20-16-5-3-4-14(17(16)21-2)12-19-11-10-13-6-8-15(18)9-7-13/h3-9,19H,10-12H2,1-2H3
• InChIKey: LLUBAMRZDJSUNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 353779-64-3
• MDL Number: MFCD01135948

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.28328604
• LogD (pH = 7.4): 1.6612483
• Log P: 3.3720884
• Molar Refractivity: 81.8164 cm^3
• Polarizability: 31.577429 Å^3
• Polar Surface Area: 30.49 Å^2