2-methyl-1-(naphthalen-1-yl)propan-2-amine

• ChemBase ID: 813895
• Molecular Formular: C14H17N
• Molecular Mass: 199.29148
• Monoisotopic Mass: 199.13609955
• SMILES: C(C(C)(N)C)c1c2ccccc2ccc1
• Canonical SMILES: CC(Cc1cccc2c1cccc2)(N)C
• InChI: InChI=1S/C14H17N/c1-14(2,15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,10,15H2,1-2H3
• InChIKey: NBMGLOFEXFAHNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(naphthalen-1-yl)propan-2-amine
• IUPAC Traditional name: 2-methyl-1-(naphthalen-1-yl)propan-2-amine
• Synonyms: 2-methyl-1-(naphthalen-1-yl)propan-2-amine

Database IDs

• CAS Number: 211871-49-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.05015187
• LogD (pH = 7.4): 0.46513075
• Log P: 3.0743039
• Molar Refractivity: 64.7936 cm^3
• Polarizability: 26.847368 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%