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

• ChemBase ID: 48528
• Molecular Formular: C14H15N3
• Molecular Mass: 225.289
• Monoisotopic Mass: 225.1265975
• SMILES: N1(c2ncccc2N)c2c(CCC1)cccc2
• Canonical SMILES: Nc1cccnc1N1CCCc2c1cccc2
• InChI: InChI=1S/C14H15N3/c15-12-7-3-9-16-14(12)17-10-4-6-11-5-1-2-8-13(11)17/h1-3,5,7-9H,4,6,10,15H2
• InChIKey: JTONFOPTVPIWOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,2,3,4-tetrahydroquinolin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 2-(3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine
• Synonyms: 2-[3,4-Dihydro-1(2H)-quinolinyl]-3-pyridinamine

Database IDs

• MDL Number: MFCD08700179
• PubChem SID: 162053291
• PubChem CID: 16795577

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2646463
• LogD (pH = 7.4): 2.660394
• Log P: 2.669164
• Molar Refractivity: 70.2085 cm^3
• Polarizability: 26.031414 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false