(2S,3S)-4-(2H3)methyl-3-methyl-2-phenylmorpholine

• ChemBase ID: 176449
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: C1CO[C@H]([C@@H](N1C)C)c1ccccc1
• Canonical SMILES: C[C@@H]1N(C)CCO[C@H]1c1ccccc1
• InChI: InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1
• InChIKey: MFOCDFTXLCYLKU-CMPLNLGQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S)-4-(^2H₃)methyl-3-methyl-2-phenylmorpholine
• IUPAC Traditional name: (2S,3S)-4-(^2H₃)methyl-3-methyl-2-phenylmorpholine
• Synonyms: (2S,3S)-3,4-Dimethyl-2-phenylmorpholine-d3; (2S-trans)-3,4-Dimethyl-2-phenylmorpholine-d3; (+)-Phendimetrazine-d3; Antapentan-d3; Bontril-d3; Mephenmetrazine-d3; NSC 169187-d3; Sedafamen-d3; d-2-Phenyl-3,4-dimethylmorpholine-d3; Phendimetrazine-d3

Database IDs

• PubChem SID: 164232359
• PubChem CID: 71751567

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.39657155
• LogD (pH = 7.4): 1.9287926
• Log P: 2.1724842
• Molar Refractivity: 57.7642 cm^3
• Polarizability: 22.88145 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Red Liquid

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer

DETAILS

Toronto Research Chemicals - P295802

A labelled Amphetamine derivative. Anorexic.Controlled substance (stimulant).

REFERENCES

• Fernandez-Lopez, J., et al.: Drugs, 62, 915 (2002)
• Padwal, R., et al.: Lancet, 369, 71 (2002)
• Fernstrom, J., et al.: Pharmacol. Therap., 117, 105 (2002)