1-(2,5-dimethoxy-3,4-dimethylphenyl)propan-2-amine

• ChemBase ID: 127529
• Molecular Formular: C13H21NO2
• Molecular Mass: 223.31134
• Monoisotopic Mass: 223.15722892
• SMILES: COc1c(C)c(C)c(cc1CC(C)N)OC
• Canonical SMILES: COc1cc(CC(N)C)c(c(c1C)C)OC
• InChI: InChI=1S/C13H21NO2/c1-8(14)6-11-7-12(15-4)9(2)10(3)13(11)16-5/h7-8H,6,14H2,1-5H3
• InChIKey: RBZXVDSILZXPDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,5-dimethoxy-3,4-dimethylphenyl)propan-2-amine
• IUPAC Traditional name: ganesha (psychedelic)
• Synonyms: 3,4-Dimethyl-2,5-dimethoxyamphetamine2-(3,4-Dimethyl-2,5-dimethoxyphenyl)-1-methyl-1-aminoethane; Ganesha (psychedelic)

Database IDs

• CAS Number: 207740-37-2
• PubChem SID: 162221848
• PubChem CID: 44350044
• CHEMBL: 339431
• Chemspider ID: 21106315
• Wikipedia Title: Ganesha_(psychedelic)

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5008019
• LogD (pH = 7.4): 0.09323793
• Log P: 2.5157506
• Molar Refractivity: 66.714 cm^3
• Polarizability: 25.868732 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true