[2-(4-fluorophenyl)ethyl][(3-nitrophenyl)methyl]amine

• ChemBase ID: 310943
• Molecular Formular: C15H15FN2O2
• Molecular Mass: 274.2902032
• Monoisotopic Mass: 274.11175595
• SMILES: [N+](=O)(c1cc(CNCCc2ccc(F)cc2)ccc1)[O-]
• Canonical SMILES: Fc1ccc(cc1)CCNCc1cccc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C15H15FN2O2/c16-14-6-4-12(5-7-14)8-9-17-11-13-2-1-3-15(10-13)18(19)20/h1-7,10,17H,8-9,11H2
• InChIKey: RGOBPOMSYBEPJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-fluorophenyl)ethyl][(3-nitrophenyl)methyl]amine
• IUPAC Traditional name: [2-(4-fluorophenyl)ethyl][(3-nitrophenyl)methyl]amine
• Synonyms: 2-(4-fluorophenyl)-N-(3-nitrobenzyl)ethanamine

Database IDs

• CAS Number: 355816-83-0
• MDL Number: MFCD01134990

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.48630968
• LogD (pH = 7.4): 1.7185761
• Log P: 3.6274152
• Molar Refractivity: 75.2105 cm^3
• Polarizability: 28.410706 Å^3
• Polar Surface Area: 55.17 Å^2