ethyl(naphthalen-2-ylmethyl)amine

• ChemBase ID: 255544
• Molecular Formular: C13H15N
• Molecular Mass: 185.2649
• Monoisotopic Mass: 185.12044949
• SMILES: c12cc(ccc1cccc2)CNCC
• Canonical SMILES: CCNCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C13H15N/c1-2-14-10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,14H,2,10H2,1H3
• InChIKey: KSGVRUGRMOXBBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09936862
• PubChem SID: 164311454
• PubChem CID: 21258945

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.33063498
• LogD (pH = 7.4): 0.50203985
• Log P: 2.8778794
• Molar Refractivity: 60.5048 cm^3
• Polarizability: 25.085836 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.213

Product Information

• Purity: 95%