3-(4-aminophenoxy)-N-methylpropanamide

• ChemBase ID: 270956
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(CCOc1ccc(N)cc1)NC
• Canonical SMILES: CNC(=O)CCOc1ccc(cc1)N
• InChI: InChI=1S/C10H14N2O2/c1-12-10(13)6-7-14-9-4-2-8(11)3-5-9/h2-5H,6-7,11H2,1H3,(H,12,13)
• InChIKey: OAUNFRKOPGZOQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-aminophenoxy)-N-methylpropanamide
• IUPAC Traditional name: 3-(4-aminophenoxy)-N-methylpropanamide
• Synonyms: 3-(4-aminophenoxy)-N-methylpropanamide

Database IDs

• MDL Number: MFCD12790844
• PubChem SID: 164326866
• PubChem CID: 50989030

CALCULATED PROPERTIES

• Acid pKa: 15.851634
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.006181899
• LogD (pH = 7.4): 0.1167667
• Log P: 0.118378095
• Molar Refractivity: 54.7245 cm^3
• Polarizability: 20.723764 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.095

Product Information

• Purity: 95%