2-amino-N,N-diethyl-3-phenylpropanamide

• ChemBase ID: 237818
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: C(=O)(C(Cc1ccccc1)N)N(CC)CC
• Canonical SMILES: CCN(C(=O)C(Cc1ccccc1)N)CC
• InChI: InChI=1S/C13H20N2O/c1-3-15(4-2)13(16)12(14)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10,14H2,1-2H3
• InChIKey: XYSWMPMQILGZRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-diethyl-3-phenylpropanamide
• IUPAC Traditional name: 2-amino-N,N-diethyl-3-phenylpropanamide
• Synonyms: 2-amino-N,N-diethyl-3-phenylpropanamide

Database IDs

• MDL Number: MFCD06660501
• PubChem SID: 164293728
• PubChem CID: 3549327

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9599111
• LogD (pH = 7.4): 0.73407376
• Log P: 1.4316405
• Molar Refractivity: 66.2291 cm^3
• Polarizability: 25.964357 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.61

Product Information

• Purity: 95%