naphthalen-1-yl(phenyl)methanamine hydrochloride

• ChemBase ID: 273001
• Molecular Formular: C17H16ClN
• Molecular Mass: 269.76864
• Monoisotopic Mass: 269.0971272
• SMILES: c1(C(c2ccccc2)N)c2c(ccc1)cccc2.Cl
• Canonical SMILES: NC(c1cccc2c1cccc2)c1ccccc1.Cl
• InChI: InChI=1S/C17H15N.ClH/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;1H
• InChIKey: AAKZJNSNWIKDKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18483238
• PubChem SID: 164328911
• PubChem CID: 54592713

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%