2-amino-N,N-dimethyl-3-phenylpropanamide hydrochloride

• ChemBase ID: 48871
• Molecular Formular: C11H17ClN2O
• Molecular Mass: 228.71848
• Monoisotopic Mass: 228.10294085
• SMILES: C(=O)(C(Cc1ccccc1)N)N(C)C.Cl
• Canonical SMILES: NC(C(=O)N(C)C)Cc1ccccc1.Cl
• InChI: InChI=1S/C11H16N2O.ClH/c1-13(2)11(14)10(12)8-9-6-4-3-5-7-9;/h3-7,10H,8,12H2,1-2H3;1H
• InChIKey: NTFPAOHCUPWJNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-dimethyl-3-phenylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N,N-dimethyl-3-phenylpropanamide hydrochloride
• Synonyms: 2-Amino-N,N-dimethyl-3-phenylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562120
• PubChem SID: 162053634
• PubChem CID: 22311776

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6740122
• LogD (pH = 7.4): 0.019955382
• Log P: 0.71802455
• Molar Refractivity: 56.7319 cm^3
• Polarizability: 22.27462 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false