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

• ChemBase ID: 180144
• Molecular Formular: C13H15N
• Molecular Mass: 185.2649
• Monoisotopic Mass: 185.12044949
• SMILES: c1(NC(C)C)c2c(ccc1)cccc2
• Canonical SMILES: CC(Nc1cccc2c1cccc2)C
• InChI: InChI=1S/C13H15N/c1-10(2)14-13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,1-2H3
• InChIKey: OOYUXQFFKNSPSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)naphthalen-1-amine
• IUPAC Traditional name: naphthylaminopropane
• Synonyms: Naphthalenylisopropylamine

Database IDs

• CAS Number: 18085-03-5
• PubChem SID: 164236054
• PubChem CID: 23088772

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.156896
• LogD (pH = 7.4): 3.2081888
• Log P: 3.2088838
• Molar Refractivity: 61.8694 cm^3
• Polarizability: 24.663757 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true