3-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]pyrrolidine

• ChemBase ID: 128740
• Molecular Formular: C14H19NO2
• Molecular Mass: 233.30616
• Monoisotopic Mass: 233.14157885
• SMILES: COc1ccc2CCCc2c1OC1CNCC1
• Canonical SMILES: COc1ccc2c(c1OC1CNCC1)CCC2
• InChI: InChI=1S/C14H19NO2/c1-16-13-6-5-10-3-2-4-12(10)14(13)17-11-7-8-15-9-11/h5-6,11,15H,2-4,7-9H2,1H3
• InChIKey: QDJAYXYEXHVXJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]pyrrolidine
• IUPAC Traditional name: 3-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]pyrrolidine
• Synonyms: Org 37,684

Database IDs

• PubChem SID: 162223046
• PubChem CID: 22451474; 9794656
• IUPHAR ligand ID: 171
• Wikipedia Title: Org_37,684

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9803764
• LogD (pH = 7.4): -0.47795704
• Log P: 2.2493873
• Molar Refractivity: 67.1566 cm^3
• Polarizability: 26.326706 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Uncontrolled