2-(phenoxymethyl)pyrrolidine

• ChemBase ID: 274159
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: N1C(COc2ccccc2)CCC1
• Canonical SMILES: C1CNC(C1)COc1ccccc1
• InChI: InChI=1S/C11H15NO/c1-2-6-11(7-3-1)13-9-10-5-4-8-12-10/h1-3,6-7,10,12H,4-5,8-9H2
• InChIKey: CVINTVJDIQIIGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(phenoxymethyl)pyrrolidine
• IUPAC Traditional name: 2-(phenoxymethyl)pyrrolidine
• Synonyms: 2-(phenoxymethyl)pyrrolidine

Database IDs

• MDL Number: MFCD02663515
• PubChem SID: 164330069
• PubChem CID: 18672069

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3179146
• LogD (pH = 7.4): -0.9526189
• Log P: 1.9167356
• Molar Refractivity: 52.4568 cm^3
• Polarizability: 21.025358 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.28

Product Information

• Purity: 95%