2-[4-(2-aminoethyl)phenoxy]acetamide

• ChemBase ID: 258529
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(COc1ccc(cc1)CCN)N
• Canonical SMILES: NCCc1ccc(cc1)OCC(=O)N
• InChI: InChI=1S/C10H14N2O2/c11-6-5-8-1-3-9(4-2-8)14-7-10(12)13/h1-4H,5-7,11H2,(H2,12,13)
• InChIKey: WMRVGTYDXAQDRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-aminoethyl)phenoxy]acetamide
• IUPAC Traditional name: 2-[4-(2-aminoethyl)phenoxy]acetamide
• Synonyms: 2-[4-(2-aminoethyl)phenoxy]acetamide

Database IDs

• MDL Number: MFCD09040672
• PubChem SID: 164314439
• PubChem CID: 16228732

CALCULATED PROPERTIES

• Acid pKa: 15.621007
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.1100752
• LogD (pH = 7.4): -2.423534
• Log P: -0.09895512
• Molar Refractivity: 53.6564 cm^3
• Polarizability: 21.026697 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96 - 98°C
• Hydrophobicity(logP): -0.153

Product Information

• Purity: 95%