3-(2,3-dimethoxyphenyl)pyrrolidine

• ChemBase ID: 306918
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: c1(c(C2CNCC2)cccc1OC)OC
• Canonical SMILES: COc1c(OC)cccc1C1CNCC1
• InChI: InChI=1S/C12H17NO2/c1-14-11-5-3-4-10(12(11)15-2)9-6-7-13-8-9/h3-5,9,13H,6-8H2,1-2H3
• InChIKey: HEPGYNRBQZZNML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dimethoxyphenyl)pyrrolidine
• IUPAC Traditional name: 3-(2,3-dimethoxyphenyl)pyrrolidine
• Synonyms: 3-(2,3-dimethoxyphenyl)pyrrolidine

Database IDs

• CAS Number: 959237-32-2
• MDL Number: MFCD09864261

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8418016
• LogD (pH = 7.4): -1.6126535
• Log P: 1.3963532
• Molar Refractivity: 59.7274 cm^3
• Polarizability: 23.449432 Å^3
• Polar Surface Area: 30.49 Å^2