(3-ethoxypropyl)[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine

• ChemBase ID: 35659
• Molecular Formular: C18H30N2O
• Molecular Mass: 290.4436
• Monoisotopic Mass: 290.23581359
• SMILES: c12N(CCCc1cc(cc2)CNCCCOCC)CCC
• Canonical SMILES: CCOCCCNCc1ccc2c(c1)CCCN2CCC
• InChI: InChI=1S/C18H30N2O/c1-3-11-20-12-5-7-17-14-16(8-9-18(17)20)15-19-10-6-13-21-4-2/h8-9,14,19H,3-7,10-13,15H2,1-2H3
• InChIKey: SLVPWFMPCZDURO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-ethoxypropyl)[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine
• IUPAC Traditional name: (3-ethoxypropyl)[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amine
• Synonyms: (3-Ethoxypropyl)[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine

Database IDs

• MDL Number: MFCD12027327
• PubChem SID: 160998966
• PubChem CID: 25219743

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.015949946
• LogD (pH = 7.4): 0.99006146
• Log P: 3.3732183
• Molar Refractivity: 91.5753 cm^3
• Polarizability: 35.000225 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false