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

• ChemBase ID: 125314
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: COc1c(C)c(C)c(cc1CCN)OC
• Canonical SMILES: NCCc1cc(OC)c(c(c1OC)C)C
• InChI: InChI=1S/C12H19NO2/c1-8-9(2)12(15-4)10(5-6-13)7-11(8)14-3/h7H,5-6,13H2,1-4H3
• InChIKey: NFOHGLKGLZIHJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethan-1-amine
• IUPAC Traditional name: 2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
• Synonyms: 2C-G

Database IDs

• CAS Number: 207740-18-9
• PubChem SID: 162219664
• PubChem CID: 22238091
• CHEMBL: 127202
• Chemspider ID: 21106224
• Wikipedia Title: 2C-G

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9064542
• LogD (pH = 7.4): -0.1439797
• Log P: 2.0991757
• Molar Refractivity: 62.2952 cm^3
• Polarizability: 24.025288 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true