[(4-nitrophenyl)methyl](2-phenylethyl)amine

• ChemBase ID: 310941
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: [N+](=O)(c1ccc(cc1)CNCCc1ccccc1)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(cc1)CNCCc1ccccc1
• InChI: InChI=1S/C15H16N2O2/c18-17(19)15-8-6-14(7-9-15)12-16-11-10-13-4-2-1-3-5-13/h1-9,16H,10-12H2
• InChIKey: LPDSUAWLUYIRIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-nitrophenyl)methyl](2-phenylethyl)amine
• IUPAC Traditional name: [(4-nitrophenyl)methyl](2-phenylethyl)amine
• Synonyms: (4-nitrobenzyl)(2-phenylethyl)amine

Database IDs

• CAS Number: 355383-03-8
• MDL Number: MFCD01135830

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3275343
• LogD (pH = 7.4): 1.4973043
• Log P: 3.484713
• Molar Refractivity: 74.9941 cm^3
• Polarizability: 28.749716 Å^3
• Polar Surface Area: 55.17 Å^2