N-methyl-N-(1-phenylpropan-2-yl)formamide hydrochloride

• ChemBase ID: 169405
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: c1cccc(c1)CC(N(C)C=O)C.Cl
• Canonical SMILES: O=CN(C(Cc1ccccc1)C)C.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-10(12(2)9-13)8-11-6-4-3-5-7-11;/h3-7,9-10H,8H2,1-2H3;1H
• InChIKey: JGIUGYVDMMYFOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(1-phenylpropan-2-yl)formamide hydrochloride
• IUPAC Traditional name: N-methyl-N-(1-phenylpropan-2-yl)formamide hydrochloride
• Synonyms: N-Methyl-N-(1-methyl-2-phenylethyl)formamide; 1-Phenyl-2-(N-methyl-N-formylamino)propane; Formyl-N,α-dimethyl-2-phenylethylamine; N-Methyl-N-(α-methylphenylethyl)formamide; rac N-Formyl Methamphetamine

Database IDs

• CAS Number: 42932-20-7
• PubChem SID: 162263537
• PubChem CID: 71316949

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7980738
• LogD (pH = 7.4): 1.7980745
• Log P: 1.7980745
• Molar Refractivity: 53.5552 cm^3
• Polarizability: 20.750843 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - F700700

An impurity of Methamphetamine (M258795). Controlled substance.

REFERENCES

• Caldwell, J., et al.: Biochem. J., et al.: 129, 11 (1972)
• Tanaka, K., et al.: J. Forensic Sci., 39, 500 (1972)