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

• ChemBase ID: 310882
• Molecular Formular: C16H18N2
• Molecular Mass: 238.32752
• Monoisotopic Mass: 238.14699859
• SMILES: c12C(NCc3ncccc3)CCCc1cccc2
• Canonical SMILES: c1ccc(nc1)CNC1CCCc2c1cccc2
• InChI: InChI=1S/C16H18N2/c1-2-9-15-13(6-1)7-5-10-16(15)18-12-14-8-3-4-11-17-14/h1-4,6,8-9,11,16,18H,5,7,10,12H2
• InChIKey: HGPHGLOWUWJAPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 353778-53-7
• MDL Number: MFCD01135691

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5511328
• LogD (pH = 7.4): 2.282781
• Log P: 3.1086602
• Molar Refractivity: 73.4213 cm^3
• Polarizability: 29.002047 Å^3
• Polar Surface Area: 24.92 Å^2