N-[(2-aminophenyl)methyl]-N-methylacetamide

• ChemBase ID: 256250
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N(C(=O)C)(Cc1c(N)cccc1)C
• Canonical SMILES: CC(=O)N(Cc1ccccc1N)C
• InChI: InChI=1S/C10H14N2O/c1-8(13)12(2)7-9-5-3-4-6-10(9)11/h3-6H,7,11H2,1-2H3
• InChIKey: UTPLQUMGUWFCML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-aminophenyl)methyl]-N-methylacetamide
• IUPAC Traditional name: N-[(2-aminophenyl)methyl]-N-methylacetamide
• Synonyms: N-(2-aminobenzyl)-N-methylacetamide

Database IDs

• MDL Number: MFCD10686826
• PubChem SID: 164312160
• PubChem CID: 28819459

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.306609
• LogD (pH = 7.4): 0.31253487
• Log P: 0.31261095
• Molar Refractivity: 53.5723 cm^3
• Polarizability: 20.038214 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.311

Product Information

• Purity: 95%