[(4-fluorophenyl)methyl](1-phenylethyl)amine

• ChemBase ID: 14914
• Molecular Formular: C15H16FN
• Molecular Mass: 229.2926432
• Monoisotopic Mass: 229.12667774
• SMILES: c1(C(NCc2ccc(cc2)F)C)ccccc1
• Canonical SMILES: Fc1ccc(cc1)CNC(c1ccccc1)C
• InChI: InChI=1S/C15H16FN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-10,12,17H,11H2,1H3
• InChIKey: HSJNHKWTWTXYLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl](1-phenylethyl)amine
• IUPAC Traditional name: [(4-fluorophenyl)methyl](1-phenylethyl)amine
• Synonyms: (4-Fluoro-benzyl)-(1-phenyl-ethyl)-amine; (4-fluorobenzyl)(1-phenylethyl)amine

Database IDs

• CAS Number: 356531-62-9
• MDL Number: MFCD01475091
• PubChem SID: 160978221
• PubChem CID: 2758971

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.76172054
• LogD (pH = 7.4): 2.2079294
• Log P: 3.8153448
• Molar Refractivity: 68.5538 cm^3
• Polarizability: 26.634048 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false