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

• ChemBase ID: 272316
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: n1ccc(CCOc2ccc(N)cc2)cc1
• Canonical SMILES: Nc1ccc(cc1)OCCc1ccncc1
• InChI: InChI=1S/C13H14N2O/c14-12-1-3-13(4-2-12)16-10-7-11-5-8-15-9-6-11/h1-6,8-9H,7,10,14H2
• InChIKey: HQEVPZRVPKMDCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12763093
• PubChem SID: 164328226
• PubChem CID: 50989674

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4314466
• LogD (pH = 7.4): 1.7761418
• Log P: 1.7821105
• Molar Refractivity: 64.4323 cm^3
• Polarizability: 24.449842 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.604

Product Information

• Purity: 95%