2-(4-aminophenyl)-2-methylpropanamide

• ChemBase ID: 277620
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(C(=O)N)(c1ccc(N)cc1)(C)C
• Canonical SMILES: Nc1ccc(cc1)C(C(=O)N)(C)C
• InChI: InChI=1S/C10H14N2O/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,11H2,1-2H3,(H2,12,13)
• InChIKey: PPTJZCLHYPQDSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)-2-methylpropanamide
• IUPAC Traditional name: 2-(4-aminophenyl)-2-methylpropanamide
• Synonyms: 2-(4-aminophenyl)-2-methylpropanamide

Database IDs

• MDL Number: MFCD19982395
• PubChem SID: 164333530
• PubChem CID: 53621911

CALCULATED PROPERTIES

• Acid pKa: 16.569435
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0428705
• LogD (pH = 7.4): 1.0737182
• Log P: 1.0741261
• Molar Refractivity: 52.9637 cm^3
• Polarizability: 20.03802 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 124°C
• Hydrophobicity(logP): -0.065

Product Information

• Purity: 95%