N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine

C20H17F3N2 — CID 44605400

IUPACN-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCCc1ccc(Nc2cc(-c3cccc(C(F)(F)F)c3)ccn2)cc1
InChIInChI=1S/C20H17F3N2/c1-2-14-6-8-18(9-7-14)25-19-13-16(10-11-24-19)15-4-3-5-17(12-15)20(21,22)23/h3-13H,2H2,1H3,(H,24,25)
InChIKeyDJDJULBOSJXEKX-UHFFFAOYSA-N
MW342.36 g/mol
LogP6.07
Rot. Bonds4

About N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine

N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 44605400) has the molecular formula C20H17F3N2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID44605400
Molecular FormulaC20H17F3N2
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCCc1ccc(Nc2cc(-c3cccc(C(F)(F)F)c3)ccn2)cc1
InChIInChI=1S/C20H17F3N2/c1-2-14-6-8-18(9-7-14)25-19-13-16(10-11-24-19)15-4-3-5-17(12-15)20(21,22)23/h3-13H,2H2,1H3,(H,24,25)
InChIKeyDJDJULBOSJXEKX-UHFFFAOYSA-N
XLogP6.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.36
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10158076
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
4-(3-ethylphenyl)-N-methylpyridin-2-amine
CID 123399448
[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 50961962
1-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008576
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 68663950
6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline
CID 19381152
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-(4-ethylphenyl)-3-phenylaniline
CID 142244163
N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008480
3-N-(4-ethylphenyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112964268
4-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113192978

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine (CID 44605400) is N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine is CCc1ccc(Nc2cc(-c3cccc(C(F)(F)F)c3)ccn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is DJDJULBOSJXEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2/c1-2-14-6-8-18(9-7-14)25-19-13-16(10-11-24-19)15-4-3-5-17(12-15)20(21,22)23/h3-13H,2H2,1H3,(H,24,25).
What are the key properties of N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 342.36 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 44605400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).