methyl 2-(benzylamino)-2-phenylacetate

• ChemBase ID: 311823
• Molecular Formular: C16H17NO2
• Molecular Mass: 255.31168
• Monoisotopic Mass: 255.12592879
• SMILES: N(C(C(=O)OC)c1ccccc1)Cc1ccccc1
• Canonical SMILES: COC(=O)C(c1ccccc1)NCc1ccccc1
• InChI: InChI=1S/C16H17NO2/c1-19-16(18)15(14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-11,15,17H,12H2,1H3
• InChIKey: BKILDAUSVSANBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(benzylamino)-2-phenylacetate
• IUPAC Traditional name: methyl 2-(benzylamino)-2-phenylacetate
• Synonyms: methyl (benzylamino)(phenyl)acetate

Database IDs

• CAS Number: 78907-06-9
• MDL Number: MFCD03075549

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.84812
• LogD (pH = 7.4): 3.0878022
• Log P: 3.0919013
• Molar Refractivity: 74.5176 cm^3
• Polarizability: 29.590195 Å^3
• Polar Surface Area: 38.33 Å^2