6-ethoxy-3-propylquinolin-2-amine

• ChemBase ID: 805063
• Molecular Formular: C14H18N2O
• Molecular Mass: 230.30552
• Monoisotopic Mass: 230.14191321
• SMILES: c1cc2c(cc1OCC)cc(c(n2)N)CCC
• Canonical SMILES: CCCc1cc2cc(OCC)ccc2nc1N
• InChI: InChI=1S/C14H18N2O/c1-3-5-10-8-11-9-12(17-4-2)6-7-13(11)16-14(10)15/h6-9H,3-5H2,1-2H3,(H2,15,16)
• InChIKey: YCKUBSGCBLBHKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxy-3-propylquinolin-2-amine
• IUPAC Traditional name: 6-ethoxy-3-propylquinolin-2-amine
• Synonyms: 2-AMINO-6-ETHOXY-3-PROPYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4578173
• LogD (pH = 7.4): 3.4388125
• Log P: 3.4981275
• Molar Refractivity: 70.4482 cm^3
• Polarizability: 27.924513 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%