N-{3-[1-(benzylamino)ethyl]phenyl}acetamide hydrochloride

• ChemBase ID: 253038
• Molecular Formular: C17H21ClN2O
• Molecular Mass: 304.81444
• Monoisotopic Mass: 304.13424098
• SMILES: C(=O)(Nc1cc(C(NCc2ccccc2)C)ccc1)C.Cl
• Canonical SMILES: CC(=O)Nc1cccc(c1)C(NCc1ccccc1)C.Cl
• InChI: InChI=1S/C17H20N2O.ClH/c1-13(18-12-15-7-4-3-5-8-15)16-9-6-10-17(11-16)19-14(2)20;/h3-11,13,18H,12H2,1-2H3,(H,19,20);1H
• InChIKey: LIKAOYNIDIIWSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[1-(benzylamino)ethyl]phenyl}acetamide hydrochloride
• IUPAC Traditional name: N-{3-[1-(benzylamino)ethyl]phenyl}acetamide hydrochloride
• Synonyms: N-{3-[1-(benzylamino)ethyl]phenyl}acetamide hydrochloride

Database IDs

• MDL Number: MFCD08692490
• PubChem SID: 164308948
• PubChem CID: 17400261

CALCULATED PROPERTIES

• Acid pKa: 14.274639
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.046968766
• LogD (pH = 7.4): 1.5234241
• Log P: 2.9103532
• Molar Refractivity: 83.2004 cm^3
• Polarizability: 31.880838 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.996

Product Information

• Purity: 95%
• Salt Data: HCl