3-(2,5-dimethoxyphenyl)pyrrolidine

• ChemBase ID: 306919
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: c1(c(ccc(c1)OC)OC)C1CNCC1
• Canonical SMILES: COc1ccc(c(c1)C1CNCC1)OC
• InChI: InChI=1S/C12H17NO2/c1-14-10-3-4-12(15-2)11(7-10)9-5-6-13-8-9/h3-4,7,9,13H,5-6,8H2,1-2H3
• InChIKey: CFXGZDPEXFOZFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dimethoxyphenyl)pyrrolidine
• IUPAC Traditional name: 3-(2,5-dimethoxyphenyl)pyrrolidine
• Synonyms: 3-(2,5-dimethoxyphenyl)pyrrolidine

Database IDs

• CAS Number: 938458-95-8
• MDL Number: MFCD09055265

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8416654
• LogD (pH = 7.4): -1.606317
• Log P: 1.3963532
• Molar Refractivity: 59.7274 cm^3
• Polarizability: 23.447004 Å^3
• Polar Surface Area: 30.49 Å^2