(furan-2-ylmethyl)(2H3)methyl[(2S)-1-phenylpropan-2-yl]amine

• ChemBase ID: 169514
• Molecular Formular: C15H19NO
• Molecular Mass: 229.31746
• Monoisotopic Mass: 229.14666423
• SMILES: C([C@@H](N(Cc1occc1)C)C)c1ccccc1
• Canonical SMILES: CN([C@H](Cc1ccccc1)C)Cc1ccco1
• InChI: InChI=1S/C15H19NO/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1
• InChIKey: DLGIIZAHQPTVCJ-ZDUSSCGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)(^2H₃)methyl[(2S)-1-phenylpropan-2-yl]amine
• IUPAC Traditional name: (furan-2-ylmethyl)(^2H₃)methyl[(2S)-1-phenylpropan-2-yl]amine
• Synonyms: (+)-N-(Methyl-d3)-N-(1-methyl-2-phenylethyl)-2-furanmethanamine; (+)-N-(Methyl-d3)-N-(α-methylphenethyl)furfurylamine; Frugalan-d3; d-Furfenorex-d3; d-Furfurylmethylamphetamine-d3; Furfenorex-d3

Database IDs

• CAS Number: 1246815-29-1
• PubChem SID: 162263646
• PubChem CID: 71317014

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.18293212
• LogD (pH = 7.4): 1.7560326
• Log P: 3.4045985
• Molar Refractivity: 70.778 cm^3
• Polarizability: 27.470463 Å^3
• Polar Surface Area: 16.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Brown Oil

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - F864162

A labelled N-alkylated Amphetamine (A634240) derivative. It shows the same toxicokinetic activity as amphetaminil, benzphetamine, clobenzorex, dimethylamphetamine, ethylamphetamine, famprofazone, fencamine, fenethylline, fenproporex, mefenorex, mesocarb,

REFERENCES

• Hiramatsu, M., et al.: J. Pharmacol. Exp. Ther., 254, 521 (1990)
• Lin, L., et al.: Drug Metab. Dispos., 25, 1059 (1990)
• Wu, D., et al.: Biochem. Pharmacol., 53, 1605 (1990)