2-(2-aminophenyl)-N-benzyl-N-methylacetamide

• ChemBase ID: 261384
• Molecular Formular: C16H18N2O
• Molecular Mass: 254.32692
• Monoisotopic Mass: 254.14191321
• SMILES: C(=O)(N(Cc1ccccc1)C)Cc1c(N)cccc1
• Canonical SMILES: O=C(N(Cc1ccccc1)C)Cc1ccccc1N
• InChI: InChI=1S/C16H18N2O/c1-18(12-13-7-3-2-4-8-13)16(19)11-14-9-5-6-10-15(14)17/h2-10H,11-12,17H2,1H3
• InChIKey: LDEQZXRQTGUTBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminophenyl)-N-benzyl-N-methylacetamide
• IUPAC Traditional name: 2-(2-aminophenyl)-N-benzyl-N-methylacetamide
• Synonyms: 2-(2-aminophenyl)-N-benzyl-N-methylacetamide

Database IDs

• MDL Number: MFCD09817170
• PubChem SID: 164317294
• PubChem CID: 18070350

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1408174
• LogD (pH = 7.4): 2.146873
• Log P: 2.1469507
• Molar Refractivity: 78.2942 cm^3
• Polarizability: 29.651846 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.377

Product Information

• Purity: 95%