3-(4-aminophenoxy)-N,N-dimethylpropanamide

• ChemBase ID: 266152
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: C(=O)(N(C)C)CCOc1ccc(N)cc1
• Canonical SMILES: CN(C(=O)CCOc1ccc(cc1)N)C
• InChI: InChI=1S/C11H16N2O2/c1-13(2)11(14)7-8-15-10-5-3-9(12)4-6-10/h3-6H,7-8,12H2,1-2H3
• InChIKey: WKWFUDUYKKBNMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12784075
• PubChem SID: 164322062
• PubChem CID: 47002602

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.23930453
• LogD (pH = 7.4): 0.34059504
• Log P: 0.34205416
• Molar Refractivity: 59.6212 cm^3
• Polarizability: 22.562164 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C
• Hydrophobicity(logP): 0.496

Product Information

• Purity: 95%