2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine

C23H21F3N2 — CID 142125652

IUPAC2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESC=C(Nc1cc(-c2ccccc2C(F)(F)F)nc(C)c1C)c1ccccc1C
InChIInChI=1S/C23H21F3N2/c1-14-9-5-6-10-18(14)17(4)28-21-13-22(27-16(3)15(21)2)19-11-7-8-12-20(19)23(24,25)26/h5-13H,4H2,1-3H3,(H,27,28)
InChIKeyIVDXCFGIMHQCGI-UHFFFAOYSA-N
MW382.43 g/mol
LogP6.78
Rot. Bonds4

About 2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine

2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine (PubChem CID 142125652) has the molecular formula C23H21F3N2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine
PubChem CID142125652
Molecular FormulaC23H21F3N2
Molecular Weight382.43 g/mol
Exact Mass382.17
IUPAC Name2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESC=C(Nc1cc(-c2ccccc2C(F)(F)F)nc(C)c1C)c1ccccc1C
InChIInChI=1S/C23H21F3N2/c1-14-9-5-6-10-18(14)17(4)28-21-13-22(27-16(3)15(21)2)19-11-7-8-12-20(19)23(24,25)26/h5-13H,4H2,1-3H3,(H,27,28)
InChIKeyIVDXCFGIMHQCGI-UHFFFAOYSA-N
XLogP6.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine?
The IUPAC name of 2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine (CID 142125652) is 2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine is C=C(Nc1cc(-c2ccccc2C(F)(F)F)nc(C)c1C)c1ccccc1C.
What is the InChIKey of 2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine?
The InChIKey is IVDXCFGIMHQCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2/c1-14-9-5-6-10-18(14)17(4)28-21-13-22(27-16(3)15(21)2)19-11-7-8-12-20(19)23(24,25)26/h5-13H,4H2,1-3H3,(H,27,28).
What are the key properties of 2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine?
2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine has a molecular weight of 382.43 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(2-methylphenyl)ethenyl]-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 142125652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).