2-(2-methoxyethoxy)pyridin-4-amine

• ChemBase ID: 247538
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: c1c(nccc1N)OCCOC
• Canonical SMILES: COCCOc1cc(N)ccn1
• InChI: InChI=1S/C8H12N2O2/c1-11-4-5-12-8-6-7(9)2-3-10-8/h2-3,6H,4-5H2,1H3,(H2,9,10)
• InChIKey: LXAHVQMTGOPYDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)pyridin-4-amine
• IUPAC Traditional name: 2-(2-methoxyethoxy)pyridin-4-amine
• Synonyms: 2-(2-methoxyethoxy)pyridin-4-amine

Database IDs

• MDL Number: MFCD13190649
• PubChem SID: 164303448
• PubChem CID: 61710748

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.76375806
• LogD (pH = 7.4): 0.23073098
• Log P: 0.3164582
• Molar Refractivity: 46.4217 cm^3
• Polarizability: 17.477823 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.052

Product Information

• Purity: 95%