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

• ChemBase ID: 247671
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C(=O)(OC)CNCCc1ccccc1
• Canonical SMILES: COC(=O)CNCCc1ccccc1
• InChI: InChI=1S/C11H15NO2/c1-14-11(13)9-12-8-7-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
• InChIKey: FBIPTCVAYJYXEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11140518
• PubChem SID: 164303581
• PubChem CID: 22991956

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5738916
• LogD (pH = 7.4): 1.4102744
• Log P: 1.4441332
• Molar Refractivity: 54.9147 cm^3
• Polarizability: 21.748466 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.69

Product Information

• Purity: 95%