2-(4-aminophenoxy)-N-ethylacetamide

• ChemBase ID: 255397
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(NCC)COc1ccc(N)cc1
• Canonical SMILES: CCNC(=O)COc1ccc(cc1)N
• InChI: InChI=1S/C10H14N2O2/c1-2-12-10(13)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7,11H2,1H3,(H,12,13)
• InChIKey: SWUUNYGVCQZKHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenoxy)-N-ethylacetamide
• IUPAC Traditional name: 2-(4-aminophenoxy)-N-ethylacetamide
• Synonyms: 2-(4-aminophenoxy)-N-ethylacetamide

Database IDs

• MDL Number: MFCD09037327
• PubChem SID: 164311307
• PubChem CID: 16770453

CALCULATED PROPERTIES

• Acid pKa: 15.285025
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.13441768
• LogD (pH = 7.4): 0.23669812
• Log P: 0.2381733
• Molar Refractivity: 54.7737 cm^3
• Polarizability: 20.723356 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C
• Hydrophobicity(logP): 0.294

Product Information

• Purity: 95%