(1-methoxypropan-2-yl)[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]amine

• ChemBase ID: 625895
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: N1(c2c(CCC1)cccc2)CCNC(COC)C
• Canonical SMILES: COCC(NCCN1CCCc2c1cccc2)C
• InChI: InChI=1S/C15H24N2O/c1-13(12-18-2)16-9-11-17-10-5-7-14-6-3-4-8-15(14)17/h3-4,6,8,13,16H,5,7,9-12H2,1-2H3
• InChIKey: DQUFQBPHDWYEBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methoxypropan-2-yl)[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]amine
• IUPAC Traditional name: [2-(3,4-dihydro-2H-quinolin-1-yl)ethyl](1-methoxypropan-2-yl)amine
• Synonyms: N-[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]-1-methoxypropan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5212884
• LogD (pH = 7.4): 0.85014313
• Log P: 2.5709429
• Molar Refractivity: 76.5839 cm^3
• Polarizability: 29.46862 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.97
• LOG S: -2.54
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6