[1-(4-methoxyphenyl)propan-2-yl](methyl)amine

• ChemBase ID: 32206
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(CC(NC)C)ccc(cc1)OC
• Canonical SMILES: CNC(Cc1ccc(cc1)OC)C
• InChI: InChI=1S/C11H17NO/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3
• InChIKey: UGFMBZYKVQSQFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-methoxyphenyl)propan-2-yl](methyl)amine
• IUPAC Traditional name: para-methoxymethamphetamine
• Synonyms: 1-(4-Methoxyphenyl)-N-methyl-2-propanamine; [1-(4-methoxyphenyl)propan-2-yl](methyl)amine; 4-Methoxy-N-methylamphetamine; p-Methoxymethamphetamine; rac N-Methyl-p-methoxyamphetamine; Para-Methoxy-N-methylamphetamine

Database IDs

• CAS Number: 3398-68-3; 22331-70-0
• MDL Number: MFCD01708217
• PubChem SID: 160995513
• PubChem CID: 90766
• Wikipedia Title: Para-Methoxy-N-methylamphetamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1479639
• LogD (pH = 7.4): -0.5867756
• Log P: 2.0791595
• Molar Refractivity: 54.943 cm^3
• Polarizability: 21.68154 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Pale Yellow Oil
• Hydrophobicity(logP): 1.807

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Pharmacology Properties

• Legal Status: Controlled under Federal Analog Act

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - M321895

An antinociception. Evokes stereotypic behavior related to dopaminergic activation. Illegal psychedelic drug, that can cause intoxication and fatalities in ingested.

REFERENCES

• Rohanova, M. et al.: Toxicology 259, 61 (2009)
• Bustamante, D. et al.: Pharmacol. Biochem. Be. 79, 199 (2004)