N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 310831
• Molecular Formular: C16H18N2
• Molecular Mass: 238.32752
• Monoisotopic Mass: 238.14699859
• SMILES: c12C(NCc3ccncc3)CCCc1cccc2
• Canonical SMILES: n1ccc(cc1)CNC1CCCc2c1cccc2
• InChI: InChI=1S/C16H18N2/c1-2-6-15-14(4-1)5-3-7-16(15)18-12-13-8-10-17-11-9-13/h1-2,4,6,8-11,16,18H,3,5,7,12H2
• InChIKey: GSPCKMUOZSNPJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: (pyridin-4-ylmethyl)1,2,3,4-tetrahydronaphthalen-1-ylamine

Database IDs

• CAS Number: 884497-50-1
• MDL Number: MFCD01135662

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.034605395
• LogD (pH = 7.4): 1.3995419
• Log P: 3.0271883
• Molar Refractivity: 73.9435 cm^3
• Polarizability: 29.000906 Å^3
• Polar Surface Area: 24.92 Å^2