[(4-ethoxyphenyl)methyl][2-(4-fluorophenyl)ethyl]amine

• ChemBase ID: 311334
• Molecular Formular: C17H20FNO
• Molecular Mass: 273.3452032
• Monoisotopic Mass: 273.15289249
• SMILES: c1(F)ccc(cc1)CCNCc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CNCCc1ccc(cc1)F
• InChI: InChI=1S/C17H20FNO/c1-2-20-17-9-5-15(6-10-17)13-19-12-11-14-3-7-16(18)8-4-14/h3-10,19H,2,11-13H2,1H3
• InChIKey: FHHNPFFTBMVGME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethoxyphenyl)methyl][2-(4-fluorophenyl)ethyl]amine
• IUPAC Traditional name: [(4-ethoxyphenyl)methyl][2-(4-fluorophenyl)ethyl]amine
• Synonyms: (4-ethoxybenzyl)[2-(4-fluorophenyl)ethyl]amine

Database IDs

• CAS Number: 423734-70-7
• MDL Number: MFCD02052658

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6859002
• LogD (pH = 7.4): 1.5939385
• Log P: 3.8865676
• Molar Refractivity: 80.1018 cm^3
• Polarizability: 30.903536 Å^3
• Polar Surface Area: 21.26 Å^2