[1-(2,5-dimethoxy-4-methylphenyl)propan-2-yl](methyl)amine

• ChemBase ID: 126051
• Molecular Formular: C13H21NO2
• Molecular Mass: 223.31134
• Monoisotopic Mass: 223.15722892
• SMILES: O(c1cc(c(OC)cc1CC(NC)C)C)C
• Canonical SMILES: CNC(Cc1cc(OC)c(cc1OC)C)C
• InChI: InChI=1S/C13H21NO2/c1-9-6-13(16-5)11(7-10(2)14-3)8-12(9)15-4/h6,8,10,14H,7H2,1-5H3
• InChIKey: IWYGVDBZCSCJGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,5-dimethoxy-4-methylphenyl)propan-2-yl](methyl)amine
• IUPAC Traditional name: beatrice (psychedelic)
• Synonyms: 4-Methyl-2,5-dimethoxy-methamphetamine; 2-(4-Methyl-2,5-dimethoxyphenyl)ethan-alpha,N-methylamine; Beatrice (psychedelic)

Database IDs

• CAS Number: 92206-37-6
• PubChem SID: 162220392
• PubChem CID: 212480
• CHEMBL: 19044
• Chemspider ID: 184247
• Wikipedia Title: Beatrice_(psychedelic)

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.78484064
• LogD (pH = 7.4): -0.0936384
• Log P: 2.4349098
• Molar Refractivity: 66.4474 cm^3
• Polarizability: 25.946026 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true