ethyl 2-[(1-phenylethyl)amino]acetate

• ChemBase ID: 243133
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: N(CC(=O)OCC)C(c1ccccc1)C
• Canonical SMILES: CCOC(=O)CNC(c1ccccc1)C
• InChI: InChI=1S/C12H17NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3
• InChIKey: NFYBPTIJJCODFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(1-phenylethyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(1-phenylethyl)amino]acetate
• Synonyms: ethyl 2-[(1-phenylethyl)amino]acetate

Database IDs

• MDL Number: MFCD06797320
• PubChem SID: 164299043
• PubChem CID: 6917064

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3200823
• LogD (pH = 7.4): 1.9123987
• Log P: 1.928855
• Molar Refractivity: 59.3271 cm^3
• Polarizability: 23.666208 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.312

Product Information

• Purity: 95%