5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine

C22H24F4N2 — CID 68745610

IUPAC5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine
SMILESCC1(c2ccc(F)cc2)C=Nc2ccccc2C1CC(CCCN)C(F)(F)F
InChIInChI=1S/C22H24F4N2/c1-21(15-8-10-17(23)11-9-15)14-28-20-7-3-2-6-18(20)19(21)13-16(5-4-12-27)22(24,25)26/h2-3,6-11,14,16,19H,4-5,12-13,27H2,1H3
InChIKeyZTKAOKOLHSIOLW-UHFFFAOYSA-N
MW392.44 g/mol
LogP5.89
Rot. Bonds6

About 5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine

5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine (PubChem CID 68745610) has the molecular formula C22H24F4N2 and a molecular weight of 392.44 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine
PubChem CID68745610
Molecular FormulaC22H24F4N2
Molecular Weight392.44 g/mol
Exact Mass392.19
IUPAC Name5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine
SMILESCC1(c2ccc(F)cc2)C=Nc2ccccc2C1CC(CCCN)C(F)(F)F
InChIInChI=1S/C22H24F4N2/c1-21(15-8-10-17(23)11-9-15)14-28-20-7-3-2-6-18(20)19(21)13-16(5-4-12-27)22(24,25)26/h2-3,6-11,14,16,19H,4-5,12-13,27H2,1H3
InChIKeyZTKAOKOLHSIOLW-UHFFFAOYSA-N
XLogP5.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.44
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine (CID 68745610) is 5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine is CC1(c2ccc(F)cc2)C=Nc2ccccc2C1CC(CCCN)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine?
The InChIKey is ZTKAOKOLHSIOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N2/c1-21(15-8-10-17(23)11-9-15)14-28-20-7-3-2-6-18(20)19(21)13-16(5-4-12-27)22(24,25)26/h2-3,6-11,14,16,19H,4-5,12-13,27H2,1H3.
What are the key properties of 5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine?
5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine has a molecular weight of 392.44 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-[[3-(4-fluorophenyl)-3-methyl-4H-quinolin-4-yl]methyl]pentan-1-amine is sourced from PubChem (CID 68745610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).