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

• ChemBase ID: 311083
• Molecular Formular: C16H18N2
• Molecular Mass: 238.32752
• Monoisotopic Mass: 238.14699859
• SMILES: c12C(NCc3cnccc3)CCCc1cccc2
• Canonical SMILES: c1ccc(cn1)CNC1CCCc2c1cccc2
• InChI: InChI=1S/C16H18N2/c1-2-8-15-14(6-1)7-3-9-16(15)18-12-13-5-4-10-17-11-13/h1-2,4-6,8,10-11,16,18H,3,7,9,12H2
• InChIKey: CCZUQBAVKRBDBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 353778-55-9
• MDL Number: MFCD01135799

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4337593E-4
• LogD (pH = 7.4): 1.4924641
• Log P: 3.0271883
• Molar Refractivity: 73.9435 cm^3
• Polarizability: 29.001171 Å^3
• Polar Surface Area: 24.92 Å^2