2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine

• ChemBase ID: 286591
• Molecular Formular: C14H19N
• Molecular Mass: 201.30736
• Monoisotopic Mass: 201.15174961
• SMILES: c12C(C3NCCC3)CCCc1cccc2
• Canonical SMILES: C1CNC(C1)C1CCCc2c1cccc2
• InChI: InChI=1S/C14H19N/c1-2-7-12-11(5-1)6-3-8-13(12)14-9-4-10-15-14/h1-2,5,7,13-15H,3-4,6,8-10H2
• InChIKey: FZCLJELINMIBEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
• IUPAC Traditional name: 2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
• Synonyms: 2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine

Database IDs

• MDL Number: MFCD16857962
• PubChem SID: 180672122
• PubChem CID: 13350945

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.095606506
• LogD (pH = 7.4): -5.1787583E-4
• Log P: 3.1450574
• Molar Refractivity: 63.5838 cm^3
• Polarizability: 25.02557 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.436

Product Information

• Purity: 95%