N-(3-amino-2-methylphenyl)-2-(dimethylamino)acetamide

• ChemBase ID: 308156
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: c1(c(NC(=O)CN(C)C)cccc1N)C
• Canonical SMILES: CN(CC(=O)Nc1cccc(c1C)N)C
• InChI: InChI=1S/C11H17N3O/c1-8-9(12)5-4-6-10(8)13-11(15)7-14(2)3/h4-6H,7,12H2,1-3H3,(H,13,15)
• InChIKey: IUXIQHUCGCXIPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-amino-2-methylphenyl)-2-(dimethylamino)acetamide
• IUPAC Traditional name: N-(3-amino-2-methylphenyl)-2-(dimethylamino)acetamide
• Synonyms: N~1~-(3-amino-2-methylphenyl)-N~2~,N~2~-dimethylglycinamide

Database IDs

• CAS Number: 946782-98-5
• MDL Number: MFCD09735894

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.91912353
• LogD (pH = 7.4): 0.5769059
• Log P: 0.7869501
• Molar Refractivity: 64.0916 cm^3
• Polarizability: 23.321184 Å^3
• Polar Surface Area: 58.36 Å^2