[(2-chloro-6-ethoxyquinolin-3-yl)methyl](2-methoxyethyl)amine

• ChemBase ID: 62459
• Molecular Formular: C15H19ClN2O2
• Molecular Mass: 294.77656
• Monoisotopic Mass: 294.11350554
• SMILES: n1c(c(cc2c1ccc(c2)OCC)CNCCOC)Cl
• Canonical SMILES: COCCNCc1cc2cc(OCC)ccc2nc1Cl
• InChI: InChI=1S/C15H19ClN2O2/c1-3-20-13-4-5-14-11(9-13)8-12(15(16)18-14)10-17-6-7-19-2/h4-5,8-9,17H,3,6-7,10H2,1-2H3
• InChIKey: IYAOOLVRMOVYFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chloro-6-ethoxyquinolin-3-yl)methyl](2-methoxyethyl)amine
• IUPAC Traditional name: [(2-chloro-6-ethoxyquinolin-3-yl)methyl](2-methoxyethyl)amine
• Synonyms: (2-Chloro-6-ethoxy-quinolin-3-ylmethyl)-(2-methoxy-ethyl)-amine

Database IDs

• MDL Number: MFCD08899085
• PubChem SID: 162028198
• PubChem CID: 18524394

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.11343674
• LogD (pH = 7.4): 1.8457758
• Log P: 2.6656322
• Molar Refractivity: 81.3487 cm^3
• Polarizability: 32.807217 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false