2-amino-N-benzyl-N-methyl-3-phenylpropanamide hydrochloride

• ChemBase ID: 48892
• Molecular Formular: C17H21ClN2O
• Molecular Mass: 304.81444
• Monoisotopic Mass: 304.13424098
• SMILES: C(=O)(N(Cc1ccccc1)C)C(Cc1ccccc1)N.Cl
• Canonical SMILES: O=C(N(Cc1ccccc1)C)C(Cc1ccccc1)N.Cl
• InChI: InChI=1S/C17H20N2O.ClH/c1-19(13-15-10-6-3-7-11-15)17(20)16(18)12-14-8-4-2-5-9-14;/h2-11,16H,12-13,18H2,1H3;1H
• InChIKey: GDCLCULAXXKJHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-benzyl-N-methyl-3-phenylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-benzyl-N-methyl-3-phenylpropanamide hydrochloride
• Synonyms: 2-Amino-N-benzyl-N-methyl-3-phenylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562140
• PubChem SID: 162053655
• PubChem CID: 56831880

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.050984617
• LogD (pH = 7.4): 1.7449708
• Log P: 2.4424977
• Molar Refractivity: 81.3445 cm^3
• Polarizability: 31.897238 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false