2-(2,5-dimethoxy-4-methylphenyl)-2-methoxyethan-1-amine

• ChemBase ID: 126195
• Molecular Formular: C12H19NO3
• Molecular Mass: 225.28416
• Monoisotopic Mass: 225.13649347
• SMILES: COc1cc(C)c(cc1C(CN)OC)OC
• Canonical SMILES: COC(c1cc(OC)c(cc1OC)C)CN
• InChI: InChI=1S/C12H19NO3/c1-8-5-11(15-3)9(6-10(8)14-2)12(7-13)16-4/h5-6,12H,7,13H2,1-4H3
• InChIKey: VTEIFHQUZWABDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethoxy-4-methylphenyl)-2-methoxyethan-1-amine
• IUPAC Traditional name: bod (psychedelic)
• Synonyms: 4-Methyl-2,5,β-trimethoxyphenethylamine; 2-(4-Methyl-2,5,β-trimethoxyphenyl)ethanamine; BOD (psychedelic)

Database IDs

• CAS Number: 98537-41-8
• PubChem SID: 162220536
• PubChem CID: 44719486
• Chemspider ID: 21106262
• Wikipedia Title: BOD_(psychedelic)

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5833105
• LogD (pH = 7.4): -0.2406042
• Log P: 1.3098847
• Molar Refractivity: 63.2127 cm^3
• Polarizability: 24.86421 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true