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

• ChemBase ID: 310971
• Molecular Formular: C16H18FNO
• Molecular Mass: 259.3186232
• Monoisotopic Mass: 259.13724242
• SMILES: c1(F)ccc(cc1)CNCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNCc1ccc(cc1)F
• InChI: InChI=1S/C16H18FNO/c1-19-16-8-4-13(5-9-16)10-11-18-12-14-2-6-15(17)7-3-14/h2-9,18H,10-12H2,1H3
• InChIKey: MYDCSSSAWBKWMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 418782-68-0
• MDL Number: MFCD01135125

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.33603218
• LogD (pH = 7.4): 1.3003109
• Log P: 3.5297596
• Molar Refractivity: 75.3532 cm^3
• Polarizability: 29.05986 Å^3
• Polar Surface Area: 21.26 Å^2