3-(4-ethoxyphenoxy)pyrrolidine

• ChemBase ID: 21074
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: N1CCC(Oc2ccc(cc2)OCC)C1
• Canonical SMILES: CCOc1ccc(cc1)OC1CNCC1
• InChI: InChI=1S/C12H17NO2/c1-2-14-10-3-5-11(6-4-10)15-12-7-8-13-9-12/h3-6,12-13H,2,7-9H2,1H3
• InChIKey: XLNAXXXXGWNMDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-ethoxyphenoxy)pyrrolidine
• IUPAC Traditional name: 3-(4-ethoxyphenoxy)pyrrolidine
• Synonyms: 3-(4-Ethoxyphenoxy)pyrrolidine

Database IDs

• MDL Number: MFCD08687747
• PubChem SID: 160984381
• PubChem CID: 45075516

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6323949
• LogD (pH = 7.4): -1.1581969
• Log P: 1.5985097
• Molar Refractivity: 59.024 cm^3
• Polarizability: 23.525942 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false