3-(4-aminophenyl)-N,N-dimethylpropanamide

• ChemBase ID: 32197
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(N(C)C)CCc1ccc(N)cc1
• Canonical SMILES: CN(C(=O)CCc1ccc(cc1)N)C
• InChI: InChI=1S/C11H16N2O/c1-13(2)11(14)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,5,8,12H2,1-2H3
• InChIKey: CPXLIHMIUJEFPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-aminophenyl)-N,N-dimethylpropanamide
• IUPAC Traditional name: 3-(4-aminophenyl)-N,N-dimethylpropanamide
• Synonyms: 3-(4-Aminophenyl)-N,N-dimethylpropanamide

Database IDs

• CAS Number: 1018284-46-2
• MDL Number: MFCD10022146
• PubChem SID: 160995504
• PubChem CID: 20094447

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.83211064
• LogD (pH = 7.4): 0.86658835
• Log P: 0.86704636
• Molar Refractivity: 58.2826 cm^3
• Polarizability: 21.88304 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false