2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridin-4-amine

• ChemBase ID: 239282
• Molecular Formular: C14H15N3
• Molecular Mass: 225.289
• Monoisotopic Mass: 225.1265975
• SMILES: N1(c2cc(N)ccn2)Cc2c(CC1)cccc2
• Canonical SMILES: Nc1ccnc(c1)N1CCc2c(C1)cccc2
• InChI: InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)
• InChIKey: AZKCYSCBPAJCPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridin-4-amine
• IUPAC Traditional name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-4-amine
• Synonyms: 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyridin-4-amine

Database IDs

• MDL Number: MFCD16507769
• PubChem SID: 164295192
• PubChem CID: 9855978

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.90396327
• LogD (pH = 7.4): 0.970552
• Log P: 2.3935103
• Molar Refractivity: 71.2658 cm^3
• Polarizability: 26.026411 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.365

Product Information

• Purity: 95%