(2-methoxyethyl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 269534
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: n1cc(CNCCOC)ccc1
• Canonical SMILES: COCCNCc1cccnc1
• InChI: InChI=1S/C9H14N2O/c1-12-6-5-11-8-9-3-2-4-10-7-9/h2-4,7,11H,5-6,8H2,1H3
• InChIKey: SFOQTGDGRQEINN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)(pyridin-3-ylmethyl)amine
• Synonyms: (2-methoxyethyl)(pyridin-3-ylmethyl)amine; (2-methoxyethyl)(3-pyridinylmethyl)amine

Database IDs

• CAS Number: 120739-68-6
• MDL Number: MFCD07408155
• PubChem SID: 164325444
• PubChem CID: 4720010

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6363819
• LogD (pH = 7.4): -1.0177941
• Log P: 0.2669467
• Molar Refractivity: 48.1926 cm^3
• Polarizability: 19.010265 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.184

Product Information

• Purity: 95%