[(4-methoxyphenyl)methyl][(3-nitrophenyl)methyl]amine

• ChemBase ID: 310847
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: [N+](=O)(c1cc(CNCc2ccc(cc2)OC)ccc1)[O-]
• Canonical SMILES: COc1ccc(cc1)CNCc1cccc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C15H16N2O3/c1-20-15-7-5-12(6-8-15)10-16-11-13-3-2-4-14(9-13)17(18)19/h2-9,16H,10-11H2,1H3
• InChIKey: OYBBUPXUIYYCPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methyl][(3-nitrophenyl)methyl]amine
• IUPAC Traditional name: [(4-methoxyphenyl)methyl][(3-nitrophenyl)methyl]amine
• Synonyms: (4-methoxybenzyl)(3-nitrobenzyl)amine

Database IDs

• CAS Number: 186129-17-9
• MDL Number: MFCD01135295

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.21841983
• LogD (pH = 7.4): 1.8845569
• Log P: 3.0383806
• Molar Refractivity: 76.7023 cm^3
• Polarizability: 29.496487 Å^3
• Polar Surface Area: 64.4 Å^2