ethyl 2-[(2-phenylethyl)amino]acetate

• ChemBase ID: 273510
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: C(=O)(OCC)CNCCc1ccccc1
• Canonical SMILES: CCOC(=O)CNCCc1ccccc1
• InChI: InChI=1S/C12H17NO2/c1-2-15-12(14)10-13-9-8-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
• InChIKey: ADVKOLZYLWXQSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(2-phenylethyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(2-phenylethyl)amino]acetate
• Synonyms: ethyl 2-[(2-phenylethyl)amino]acetate

Database IDs

• MDL Number: MFCD11152837
• PubChem SID: 164329420
• PubChem CID: 11031025

CALCULATED PROPERTIES

• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9310904
• LogD (pH = 7.4): 1.7671163
• Log P: 1.8009412
• Molar Refractivity: 59.6633 cm^3
• Polarizability: 23.591509 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.219

Product Information

• Purity: 95%