2-(3-aminophenyl)-N,N-dimethylacetamide

• ChemBase ID: 123683
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(N(C)C)Cc1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)CC(=O)N(C)C
• InChI: InChI=1S/C10H14N2O/c1-12(2)10(13)7-8-4-3-5-9(11)6-8/h3-6H,7,11H2,1-2H3
• InChIKey: UWEZXIIXUNXITL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-aminophenyl)-N,N-dimethylacetamide
• IUPAC Traditional name: 2-(3-aminophenyl)-N,N-dimethylacetamide
• Synonyms: 2-(3-aminophenyl)-N,N-dimethylacetamide

Database IDs

• CAS Number: 58730-43-1
• MDL Number: MFCD10022145
• PubChem SID: 162218036
• PubChem CID: 28689657

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.39469108
• LogD (pH = 7.4): 0.42211643
• Log P: 0.42247766
• Molar Refractivity: 53.6816 cm^3
• Polarizability: 20.038935 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true