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

• ChemBase ID: 35661
• Molecular Formular: C19H32N2O
• Molecular Mass: 304.47018
• Monoisotopic Mass: 304.25146365
• SMILES: c12N(CCCc1cc(cc2)CNCCCOC(C)C)CCC
• Canonical SMILES: CCCN1CCCc2c1ccc(c2)CNCCCOC(C)C
• InChI: InChI=1S/C19H32N2O/c1-4-11-21-12-5-7-18-14-17(8-9-19(18)21)15-20-10-6-13-22-16(2)3/h8-9,14,16,20H,4-7,10-13,15H2,1-3H3
• InChIKey: ANKWKSWOGVLIOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12027329
• PubChem SID: 160998968
• PubChem CID: 25219745

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.43252572
• LogD (pH = 7.4): 1.4066454
• Log P: 3.7897933
• Molar Refractivity: 95.9941 cm^3
• Polarizability: 36.84602 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