N-[2-(4-aminophenoxy)ethyl]acetamide

• ChemBase ID: 273782
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(NCCOc1ccc(N)cc1)C
• Canonical SMILES: CC(=O)NCCOc1ccc(cc1)N
• InChI: InChI=1S/C10H14N2O2/c1-8(13)12-6-7-14-10-4-2-9(11)3-5-10/h2-5H,6-7,11H2,1H3,(H,12,13)
• InChIKey: WOVQEYXDOCRQID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-aminophenoxy)ethyl]acetamide
• IUPAC Traditional name: N-[2-(4-aminophenoxy)ethyl]acetamide
• Synonyms: N-[2-(4-aminophenoxy)ethyl]acetamide

Database IDs

• MDL Number: MFCD11891572
• PubChem SID: 164329692
• PubChem CID: 309969

CALCULATED PROPERTIES

• Acid pKa: 15.732328
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.102869816
• LogD (pH = 7.4): 0.0069132643
• Log P: 0.008511391
• Molar Refractivity: 54.6152 cm^3
• Polarizability: 20.723728 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): 0.095

Product Information

• Purity: 95%