2-(4-aminophenyl)-N-(2-methoxyethyl)acetamide

• ChemBase ID: 256099
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: C(=O)(Cc1ccc(N)cc1)NCCOC
• Canonical SMILES: COCCNC(=O)Cc1ccc(cc1)N
• InChI: InChI=1S/C11H16N2O2/c1-15-7-6-13-11(14)8-9-2-4-10(12)5-3-9/h2-5H,6-8,12H2,1H3,(H,13,14)
• InChIKey: DEGJJFIWFQLAAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)-N-(2-methoxyethyl)acetamide
• IUPAC Traditional name: 2-(4-aminophenyl)-N-(2-methoxyethyl)acetamide
• Synonyms: 2-(4-aminophenyl)-N-(2-methoxyethyl)acetamide

Database IDs

• MDL Number: MFCD09049600
• PubChem SID: 164312009
• PubChem CID: 16777152

CALCULATED PROPERTIES

• Acid pKa: 15.860932
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.12553272
• LogD (pH = 7.4): 0.15148486
• Log P: 0.1518261
• Molar Refractivity: 59.8284 cm^3
• Polarizability: 22.57608 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50 - 52°C
• Hydrophobicity(logP): -0.293

Product Information

• Purity: 95%