ethyl 2-[(2-phenylphenyl)amino]acetate

• ChemBase ID: 268482
• Molecular Formular: C16H17NO2
• Molecular Mass: 255.31168
• Monoisotopic Mass: 255.12592879
• SMILES: c1(c(NCC(=O)OCC)cccc1)c1ccccc1
• Canonical SMILES: CCOC(=O)CNc1ccccc1c1ccccc1
• InChI: InChI=1S/C16H17NO2/c1-2-19-16(18)12-17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,17H,2,12H2,1H3
• InChIKey: LUXJLYYQNXXDLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(2-phenylphenyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(2-phenylphenyl)amino]acetate
• Synonyms: ethyl 2-[(2-phenylphenyl)amino]acetate

Database IDs

• MDL Number: MFCD00779524
• PubChem SID: 164324392
• PubChem CID: 28569439

CALCULATED PROPERTIES

• Acid pKa: 15.308434
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0738845
• LogD (pH = 7.4): 3.073934
• Log P: 3.0739346
• Molar Refractivity: 76.9903 cm^3
• Polarizability: 30.589226 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53 - 55°C
• Hydrophobicity(logP): 3.811

Product Information

• Purity: 95%