2-[(4-methylphenyl)amino]-2-phenylacetic acid

• ChemBase ID: 310457
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: C(C(=O)O)(Nc1ccc(cc1)C)c1ccccc1
• Canonical SMILES: OC(=O)C(c1ccccc1)Nc1ccc(cc1)C
• InChI: InChI=1S/C15H15NO2/c1-11-7-9-13(10-8-11)16-14(15(17)18)12-5-3-2-4-6-12/h2-10,14,16H,1H3,(H,17,18)
• InChIKey: MBFYSIABRBKLNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methylphenyl)amino]-2-phenylacetic acid
• IUPAC Traditional name: [(4-methylphenyl)amino](phenyl)acetic acid
• Synonyms: [(4-methylphenyl)amino](phenyl)acetic acid

Database IDs

• CAS Number: 60561-72-0
• MDL Number: MFCD00239180

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2083936
• LogD (pH = 7.4): 0.49804026
• Log P: 3.373858
• Molar Refractivity: 71.7355 cm^3
• Polarizability: 27.016264 Å^3
• Polar Surface Area: 49.33 Å^2