2-(naphthalen-2-yl)propan-2-amine

• ChemBase ID: 806212
• Molecular Formular: C13H15N
• Molecular Mass: 185.2649
• Monoisotopic Mass: 185.12044949
• SMILES: NC(C)(c1ccc2c(cccc2)c1)C
• Canonical SMILES: CC(c1ccc2c(c1)cccc2)(N)C
• InChI: InChI=1S/C13H15N/c1-13(2,14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,14H2,1-2H3
• InChIKey: YVPPUVZWMHWCQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)propan-2-amine
• IUPAC Traditional name: 2-(naphthalen-2-yl)propan-2-amine
• Synonyms: (1-METHYL-1-(NAPHTH-2-YL)ETHYL)AMINE

Database IDs

• CAS Number: 90299-04-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.22946624
• LogD (pH = 7.4): 0.39127812
• Log P: 2.7856426
• Molar Refractivity: 60.0386 cm^3
• Polarizability: 25.084967 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%