1-(2,6-dimethoxy-4-methylphenyl)propan-2-amine

• ChemBase ID: 129166
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: COc1cc(C)cc(OC)c1CC(C)N
• Canonical SMILES: COc1cc(C)cc(c1CC(N)C)OC
• InChI: InChI=1S/C12H19NO2/c1-8-5-11(14-3)10(7-9(2)13)12(6-8)15-4/h5-6,9H,7,13H2,1-4H3
• InChIKey: CFFJUEYUTHKVMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dimethoxy-4-methylphenyl)propan-2-amine
• IUPAC Traditional name: psi-dom
• Synonyms: Psi-DOM

Database IDs

• CAS Number: 80888-36-4
• PubChem SID: 162223463
• PubChem CID: 13753734
• CHEMBL: 293399
• Chemspider ID: 21106372
• Wikipedia Title: Psi-DOM

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0120859
• LogD (pH = 7.4): -0.3791061
• Log P: 2.0023293
• Molar Refractivity: 61.6728 cm^3
• Polarizability: 24.103088 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203°C (397.4°F)

Pharmacology Properties

• Legal Status: Controlled in the United States via the Federal Analog Act but only if it is intended for human consumption.