2-(3-aminophenoxy)-N-ethylacetamide

• ChemBase ID: 256961
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(NCC)COc1cc(N)ccc1
• Canonical SMILES: CCNC(=O)COc1cccc(c1)N
• InChI: InChI=1S/C10H14N2O2/c1-2-12-10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,2,7,11H2,1H3,(H,12,13)
• InChIKey: KGHHGQVBUDWZFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-aminophenoxy)-N-ethylacetamide
• IUPAC Traditional name: 2-(3-aminophenoxy)-N-ethylacetamide
• Synonyms: 2-(3-aminophenoxy)-N-ethylacetamide

Database IDs

• MDL Number: MFCD09047521
• PubChem SID: 164312871
• PubChem CID: 16775097

CALCULATED PROPERTIES

• Acid pKa: 15.300894
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.22671093
• LogD (pH = 7.4): 0.23802708
• Log P: 0.2381733
• Molar Refractivity: 54.7737 cm^3
• Polarizability: 20.724514 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.294

Product Information

• Purity: 95%