methyl[2-(pyridin-2-yloxy)ethyl]amine

• ChemBase ID: 802331
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: N(CCOc1ncccc1)C
• Canonical SMILES: CNCCOc1ccccn1
• InChI: InChI=1S/C8H12N2O/c1-9-6-7-11-8-4-2-3-5-10-8/h2-5,9H,6-7H2,1H3
• InChIKey: SWMCABCRDRFOJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(pyridin-2-yloxy)ethyl]amine
• IUPAC Traditional name: methyl[2-(pyridin-2-yloxy)ethyl]amine
• Synonyms: METHYL[2-(PYRIDIN-2-YLOXY)ETHYL]AMINE

Database IDs

• CAS Number: 29450-04-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.332109
• LogD (pH = 7.4): -1.17479
• Log P: 0.82795626
• Molar Refractivity: 43.4022 cm^3
• Polarizability: 17.159172 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%