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

• ChemBase ID: 28359
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: n1c(CCOc2c(N)cccc2)cccc1
• Canonical SMILES: Nc1ccccc1OCCc1ccccn1
• InChI: InChI=1S/C13H14N2O/c14-12-6-1-2-7-13(12)16-10-8-11-5-3-4-9-15-11/h1-7,9H,8,10,14H2
• InChIKey: MVEYDZDGZDCVQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 893754-09-1
• MDL Number: MFCD07365112
• PubChem SID: 160991666
• PubChem CID: 16640670

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.598349
• LogD (pH = 7.4): 1.808592
• Log P: 1.8119339
• Molar Refractivity: 63.8545 cm^3
• Polarizability: 24.454002 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false