2-(pyridin-2-ylmethoxy)aniline

• ChemBase ID: 265762
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: O(c1c(N)cccc1)Cc1ncccc1
• Canonical SMILES: Nc1ccccc1OCc1ccccn1
• InChI: InChI=1S/C12H12N2O/c13-11-6-1-2-7-12(11)15-9-10-5-3-4-8-14-10/h1-8H,9,13H2
• InChIKey: HGPUVSWRIMYYPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-ylmethoxy)aniline
• IUPAC Traditional name: 2-(pyridin-2-ylmethoxy)aniline
• Synonyms: 2-(pyridin-2-ylmethoxy)aniline

Database IDs

• CAS Number: 105326-62-3
• MDL Number: MFCD06617954
• PubChem SID: 164321672
• PubChem CID: 4913147

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5457188
• LogD (pH = 7.4): 1.5745459
• Log P: 1.5749211
• Molar Refractivity: 59.1551 cm^3
• Polarizability: 22.683834 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.455

Product Information

• Purity: 95%