2-methyl-1-phenylpropan-2-amine hydrochloride

• ChemBase ID: 153392
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: CC(C)(Cc1ccccc1)N.Cl
• Canonical SMILES: CC(Cc1ccccc1)(N)C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-10(2,11)8-9-6-4-3-5-7-9;/h3-7H,8,11H2,1-2H3;1H
• InChIKey: NCAIGTHBQTXTLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-phenylpropan-2-amine hydrochloride
• IUPAC Traditional name: phentermine hydrochloride
• Synonyms: α,α-Dimethylbenzeneethanamine Hydrochloride; 1,1-Dimethyl-2-phenylethylamine Hydrochloride; 1-Phenyl-2-methyl-2-propylamine Hydrochloride; Duromine Hydrochloride; Inoamin Hydrochloride; Ionamin Hydrochloride; Linyl Hydrochloride; Lipopill Hydrochloride; Lonamin Hydrochloride; Mirapront Hydrochloride; Normephentermine Hydrochloride; Omnibex Hydrochloride; Phenyl-tert-butylamine Hydrochloride; Wilpo Hydrochloride; Phentermine Hydrochloride; 2-Methyl-1-phenylpropan-2-amine hydrochloride; α,α-Dimethylphenethylamine hydrochloride; Phentermine hydrochloride; α,α-二甲基苯乙胺 盐酸盐

Database IDs

• CAS Number: 1197-21-3
• EC Number: 214-821-9
• MDL Number: MFCD00058289
• PubChem SID: 162247531; 24898963
• PubChem CID: 70969

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.94001377
• LogD (pH = 7.4): -0.5458378
• Log P: 2.0848272
• Molar Refractivity: 48.3434 cm^3
• Polarizability: 19.211359 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: SH4950000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25
• Safety Statements: 22-26-36/37-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310
• RID/ADR: UN 2811 6.1/PG 3
• Drug Control: USDEA Schedule IV; Home Office Schedule 3; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

Product Information

• Empirical Formula (Hill Notation): C10H15N · HCl

DETAILS

Sigma Aldrich - P8653

Biochem/physiol Actions
Anorectic agent that is a releaser of dopamine.

Toronto Research Chemicals - P318830

Controlled substance (stimulant). Anorexic. An Amphetamine derivative.

REFERENCES

• Masheb, R., et al.: Obesity Res., 8, 638 (2000)
• Fernandez-Lopez, J., et al.: Drugs, 62, 915 (2000)
• Abelson, P., et al.: Science, 304, 1413 (2000)
• Padwal, R., et al.: Lancet, 369, 71 (2000)