2-(naphthalen-2-ylmethyl)pyrrolidine

• ChemBase ID: 258173
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: N1C(Cc2cc3c(cc2)cccc3)CCC1
• Canonical SMILES: C1CNC(C1)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C15H17N/c1-2-5-14-10-12(7-8-13(14)4-1)11-15-6-3-9-16-15/h1-2,4-5,7-8,10,15-16H,3,6,9,11H2
• InChIKey: WYUUOCBNKQDCRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-ylmethyl)pyrrolidine
• IUPAC Traditional name: 2-(naphthalen-2-ylmethyl)pyrrolidine
• Synonyms: 2-(naphthalen-2-ylmethyl)pyrrolidine

Database IDs

• CAS Number: 82589-44-4
• MDL Number: MFCD09816028
• PubChem SID: 164314083
• PubChem CID: 326298

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.03531222
• LogD (pH = 7.4): 0.17103754
• Log P: 3.2752972
• Molar Refractivity: 67.7224 cm^3
• Polarizability: 27.93735 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.637

Product Information

• Purity: 95%