(2S)-2-amino-N-methyl-N,3-diphenylpropanamide hydrochloride

• ChemBase ID: 282761
• Molecular Formular: C16H19ClN2O
• Molecular Mass: 290.78786
• Monoisotopic Mass: 290.11859092
• SMILES: C(=O)(N(c1ccccc1)C)[C@H](Cc1ccccc1)N.Cl
• Canonical SMILES: N[C@H](C(=O)N(c1ccccc1)C)Cc1ccccc1.Cl
• InChI: InChI=1S/C16H18N2O.ClH/c1-18(14-10-6-3-7-11-14)16(19)15(17)12-13-8-4-2-5-9-13;/h2-11,15H,12,17H2,1H3;1H/t15-;/m0./s1
• InChIKey: GWMONELFDWCYRE-RSAXXLAASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-N-methyl-N,3-diphenylpropanamide hydrochloride
• IUPAC Traditional name: (2S)-2-amino-N-methyl-N,3-diphenylpropanamide hydrochloride
• Synonyms: (2S)-2-amino-N-methyl-N,3-diphenylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD20441658
• PubChem SID: 180668292
• PubChem CID: 54595499

CALCULATED PROPERTIES

• Acid pKa: 17.316439
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.007299476
• LogD (pH = 7.4): 1.6869321
• Log P: 2.375983
• Molar Refractivity: 76.5095 cm^3
• Polarizability: 30.04105 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 98 - 100°C
• Hydrophobicity(logP): 2.182

Product Information

• Purity: 95%