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

• ChemBase ID: 310888
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: [N+](=O)(c1c(CNCCc2ccccc2)cccc1)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccccc1CNCCc1ccccc1
• InChI: InChI=1S/C15H16N2O2/c18-17(19)15-9-5-4-8-14(15)12-16-11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2
• InChIKey: SOLIXLJHUXVLDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 418774-35-3
• MDL Number: MFCD01135045

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.43733028
• LogD (pH = 7.4): 1.8939874
• Log P: 3.484713
• Molar Refractivity: 74.9941 cm^3
• Polarizability: 28.750113 Å^3
• Polar Surface Area: 55.17 Å^2