naphthalen-1-yl(phenyl)methanamine

• ChemBase ID: 273135
• Molecular Formular: C17H15N
• Molecular Mass: 233.3077
• Monoisotopic Mass: 233.12044949
• SMILES: c1(C(c2ccccc2)N)c2c(ccc1)cccc2
• Canonical SMILES: NC(c1cccc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C17H15N/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H,18H2
• InChIKey: MKYLPACDIKGXSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-1-yl(phenyl)methanamine
• IUPAC Traditional name: naphthalen-1-yl(phenyl)methanamine
• Synonyms: naphthalen-1-yl(phenyl)methanamine

Database IDs

• MDL Number: MFCD00168077
• PubChem SID: 164329045
• PubChem CID: 12949918

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9234303
• LogD (pH = 7.4): 2.086395
• Log P: 3.8727312
• Molar Refractivity: 75.2644 cm^3
• Polarizability: 31.039017 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.616

Product Information

• Purity: 95%