2-(4-methoxynaphthalen-1-yl)pyrrolidine

• ChemBase ID: 122618
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: c12c(ccc(c1cccc2)OC)C1NCCC1
• Canonical SMILES: COc1ccc(c2c1cccc2)C1CCCN1
• InChI: InChI=1S/C15H17NO/c1-17-15-9-8-12(14-7-4-10-16-14)11-5-2-3-6-13(11)15/h2-3,5-6,8-9,14,16H,4,7,10H2,1H3
• InChIKey: CLQPRFUNRGEIHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxynaphthalen-1-yl)pyrrolidine
• IUPAC Traditional name: 2-(4-methoxynaphthalen-1-yl)pyrrolidine
• Synonyms: 2-(4-methoxynaphthalen-1-yl)pyrrolidine

Database IDs

• PubChem SID: 162216971
• PubChem CID: 17571599

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4101986
• LogD (pH = 7.4): -0.22997384
• Log P: 2.8289647
• Molar Refractivity: 69.4306 cm^3
• Polarizability: 28.61353 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true