N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine

C18H15F3N2 — CID 43833157

IUPACN-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine
SMILESCc1ccc(Nc2ccnc3c(C(F)(F)F)cccc23)c(C)c1
InChIInChI=1S/C18H15F3N2/c1-11-6-7-15(12(2)10-11)23-16-8-9-22-17-13(16)4-3-5-14(17)18(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyJIFHIIQZGMGVAV-UHFFFAOYSA-N
MW316.33 g/mol
LogP5.61
Rot. Bonds2

About N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine

N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine (PubChem CID 43833157) has the molecular formula C18H15F3N2 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine
PubChem CID43833157
Molecular FormulaC18H15F3N2
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine
SMILESCc1ccc(Nc2ccnc3c(C(F)(F)F)cccc23)c(C)c1
InChIInChI=1S/C18H15F3N2/c1-11-6-7-15(12(2)10-11)23-16-8-9-22-17-13(16)4-3-5-14(17)18(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyJIFHIIQZGMGVAV-UHFFFAOYSA-N
XLogP5.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.33
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-8-fluoroquinolin-4-amine
CID 43832975
4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine
CID 83060646
1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone
CID 43833315
2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid;hydrochloride
CID 70546974
2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid;dihydrate;hydrochloride
CID 70546379
sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 173418480
4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 164671862
4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine
CID 107633881
4-nitro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoyl chloride
CID 20520126
8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
CID 43832735
8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163894
N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine
CID 123394098

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine (CID 43833157) is N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine is Cc1ccc(Nc2ccnc3c(C(F)(F)F)cccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine?
The InChIKey is JIFHIIQZGMGVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2/c1-11-6-7-15(12(2)10-11)23-16-8-9-22-17-13(16)4-3-5-14(17)18(19,20)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine?
N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine has a molecular weight of 316.33 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 43833157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).