[4-(pyridin-2-ylmethoxy)phenyl]methanamine

• ChemBase ID: 260166
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: n1c(COc2ccc(cc2)CN)cccc1
• Canonical SMILES: NCc1ccc(cc1)OCc1ccccn1
• InChI: InChI=1S/C13H14N2O/c14-9-11-4-6-13(7-5-11)16-10-12-3-1-2-8-15-12/h1-8H,9-10,14H2
• InChIKey: MOGOVNPLJXJTQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(pyridin-2-ylmethoxy)phenyl]methanamine
• IUPAC Traditional name: [4-(pyridin-2-ylmethoxy)phenyl]methanamine
• Synonyms: [4-(pyridin-2-ylmethoxy)phenyl]methanamine

Database IDs

• MDL Number: MFCD08699708
• PubChem SID: 164316076
• PubChem CID: 16771797

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4662385
• LogD (pH = 7.4): -0.5201838
• Log P: 1.5296155
• Molar Refractivity: 62.9281 cm^3
• Polarizability: 24.918215 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.284

Product Information

• Purity: 95%