1-[2,5-bis(2H3)methoxy-4-methylphenyl]propan-2-amine hydrochloride

• ChemBase ID: 167495
• Molecular Formular: C12H20ClNO2
• Molecular Mass: 245.7457
• Monoisotopic Mass: 245.11825657
• SMILES: c1c(c(cc(c1OC)CC(N)C)OC)C.Cl
• Canonical SMILES: COc1cc(C)c(cc1CC(N)C)OC.Cl
• InChI: InChI=1S/C12H19NO2.ClH/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3;/h5,7,9H,6,13H2,1-4H3;1H
• InChIKey: IPIMRNFGYPQKAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2,5-bis(^2H₃)methoxy-4-methylphenyl]propan-2-amine hydrochloride
• IUPAC Traditional name: 1-[2,5-bis(^2H₃)methoxy-4-methylphenyl]propan-2-amine hydrochloride
• Synonyms: (+/-)-1-(4-Methyl-2,5-(dimethoxy-d6)phenyl)-2-aminopropane Hydrochloride; 2,5-(Dimethoxy-d6)methylamphetamine; dl-2,5-(Dimethoxy-d6)-4-methyl-amphetamine Hydrochloride; (+/-)-DOM-d6; STP-d6 Hydrochloride; 2',5'-(Dimethoxy-d6)-4'-methylamphetamine Hydrochloride; 2,5-Dimethoxy-4-methylamphetamine-d6 Hydrochloride

Database IDs

• PubChem SID: 162261628
• PubChem CID: 23635595

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0139972
• LogD (pH = 7.4): -0.41565815
• Log P: 2.0023293
• Molar Refractivity: 61.6728 cm^3
• Polarizability: 24.104195 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: White Solid
• Melting Point: 186-188°C

Safety Information

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

DETAILS

Toronto Research Chemicals - D446592

Labelled 2,5-Dimethoxy-4-methylamphetamine (DOM, STP) is one of the potent hallucinogenic phenylalkylamines with neurotoxic properties.

REFERENCES

• Monte, A., et al.: J. Med. Chem., 39, 2953 (1996)
• Pedersen, W., et al.: Addiction, 94, 1695 (1996)
• Kanamori, T., et al.: J. Anal. Toxicol., 26, 61 (1996)