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

• ChemBase ID: 68644
• Molecular Formular: C14H17N
• Molecular Mass: 199.29148
• Monoisotopic Mass: 199.13609955
• SMILES: C(C(C)(N)C)c1cc2c(cc1)cccc2
• Canonical SMILES: CC(Cc1ccc2c(c1)cccc2)(N)C
• InChI: InChI=1S/C14H17N/c1-14(2,15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10,15H2,1-2H3
• InChIKey: MUSKTCTZFQZRIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 198226-63-0
• MDL Number: MFCD11519113
• PubChem SID: 162034374
• PubChem CID: 15369616

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.049708046
• LogD (pH = 7.4): 0.45140398
• Log P: 3.0743039
• Molar Refractivity: 64.7936 cm^3
• Polarizability: 26.846642 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%