2-(2-methoxyphenyl)pyrrolidine

• ChemBase ID: 50878
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c1(C2NCCC2)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C1CCCN1
• InChI: InChI=1S/C11H15NO/c1-13-11-7-3-2-5-9(11)10-6-4-8-12-10/h2-3,5,7,10,12H,4,6,8H2,1H3
• InChIKey: DSRDQQWHCNKVAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)pyrrolidine
• IUPAC Traditional name: 2-(2-methoxyphenyl)pyrrolidine
• Synonyms: 2-(2-methoxyphenyl)pyrrolidine; 2-(2-Methoxy-phenyl)-pyrrolidine

Database IDs

• CAS Number: 103857-96-1
• MDL Number: MFCD02663408
• PubChem SID: 162055641
• PubChem CID: 3613985

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.38118
• LogD (pH = 7.4): -0.7040721
• Log P: 1.8394879
• Molar Refractivity: 52.9804 cm^3
• Polarizability: 21.020346 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%