[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl](3-methoxypropyl)amine

• ChemBase ID: 35662
• Molecular Formular: C18H30N2O
• Molecular Mass: 290.4436
• Monoisotopic Mass: 290.23581359
• SMILES: c12N(CCCc1cc(cc2)CNCCCOC)CCCC
• Canonical SMILES: CCCCN1CCCc2c1ccc(c2)CNCCCOC
• InChI: InChI=1S/C18H30N2O/c1-3-4-11-20-12-5-7-17-14-16(8-9-18(17)20)15-19-10-6-13-21-2/h8-9,14,19H,3-7,10-13,15H2,1-2H3
• InChIKey: DFZVZXQKIXJUHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl](3-methoxypropyl)amine
• IUPAC Traditional name: [(1-butyl-3,4-dihydro-2H-quinolin-6-yl)methyl](3-methoxypropyl)amine
• Synonyms: N-[(1-Butyl-1,2,3,4-tetrahydroquinolin-6-yl)-methyl]-3-methoxypropan-1-amine

Database IDs

• MDL Number: MFCD12027330
• PubChem SID: 160998969
• PubChem CID: 25219746

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.10635484
• LogD (pH = 7.4): 1.0778644
• Log P: 3.460979
• Molar Refractivity: 91.4277 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