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

• ChemBase ID: 35652
• Molecular Formular: C19H26N2O
• Molecular Mass: 298.42254
• Monoisotopic Mass: 298.20451346
• SMILES: c12N(CCCc1cc(cc2)CNCc1occc1)CCCC
• Canonical SMILES: CCCCN1CCCc2c1ccc(c2)CNCc1ccco1
• InChI: InChI=1S/C19H26N2O/c1-2-3-10-21-11-4-6-17-13-16(8-9-19(17)21)14-20-15-18-7-5-12-22-18/h5,7-9,12-13,20H,2-4,6,10-11,14-15H2,1H3
• InChIKey: PLTHSBGPWPHUGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12027322
• PubChem SID: 160998959
• PubChem CID: 25219738

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.670614
• LogD (pH = 7.4): 3.554872
• Log P: 4.2327147
• Molar Refractivity: 92.5223 cm^3
• Polarizability: 35.233936 Å^3
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false