4-[2-(pyridin-2-yl)ethyl]aniline

• ChemBase ID: 308750
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: n1c(CCc2ccc(N)cc2)cccc1
• Canonical SMILES: Nc1ccc(cc1)CCc1ccccn1
• InChI: InChI=1S/C13H14N2/c14-12-7-4-11(5-8-12)6-9-13-3-1-2-10-15-13/h1-5,7-8,10H,6,9,14H2
• InChIKey: JLXIKRWYUBIXPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(pyridin-2-yl)ethyl]aniline
• IUPAC Traditional name: 4-[2-(pyridin-2-yl)ethyl]aniline
• Synonyms: 4-[2-(2-pyridinyl)ethyl]aniline

Database IDs

• CAS Number: 6318-71-4
• MDL Number: MFCD10037578

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9618579
• LogD (pH = 7.4): 2.3299196
• Log P: 2.336926
• Molar Refractivity: 62.5159 cm^3
• Polarizability: 23.726913 Å^3
• Polar Surface Area: 38.91 Å^2