2-(3-methoxyphenyl)pyrrolidine

• ChemBase ID: 253040
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c1(C2NCCC2)cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C1CCCN1
• InChI: InChI=1S/C11H15NO/c1-13-10-5-2-4-9(8-10)11-6-3-7-12-11/h2,4-5,8,11-12H,3,6-7H2,1H3
• InChIKey: QGKFYRMABWIOIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 103861-77-4
• MDL Number: MFCD02663445
• PubChem SID: 164308950
• PubChem CID: 3613824

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3952025
• LogD (pH = 7.4): -1.0312419
• Log P: 1.8394879
• Molar Refractivity: 52.9804 cm^3
• Polarizability: 21.020111 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.853

Product Information

• Purity: 95%