2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile

C16H13F3N2 — CID 43153539

IUPAC2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile
SMILESCc1ccc(C)c(Nc2ccc(C(F)(F)F)cc2C#N)c1
InChIInChI=1S/C16H13F3N2/c1-10-3-4-11(2)15(7-10)21-14-6-5-13(16(17,18)19)8-12(14)9-20/h3-8,21H,1-2H3
InChIKeyDTMCKGGWKMYSAR-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.94
Rot. Bonds2

About 2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile

2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile (PubChem CID 43153539) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile
PubChem CID43153539
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile
SMILESCc1ccc(C)c(Nc2ccc(C(F)(F)F)cc2C#N)c1
InChIInChI=1S/C16H13F3N2/c1-10-3-4-11(2)15(7-10)21-14-6-5-13(16(17,18)19)8-12(14)9-20/h3-8,21H,1-2H3
InChIKeyDTMCKGGWKMYSAR-UHFFFAOYSA-N
XLogP4.94
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-4-methylanilino)-5-(trifluoromethyl)benzonitrile
CID 115910953
2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43331086
2-(2,5-dimethylanilino)benzonitrile
CID 11746208
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
CID 114016776
5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile
CID 107926853
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile
CID 43331039
6-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 66476214
2-(4-amino-2-iodoanilino)-5-(trifluoromethyl)benzonitrile
CID 115910956
2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile
CID 43555845
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile
CID 65467469

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile (CID 43153539) is 2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile is Cc1ccc(C)c(Nc2ccc(C(F)(F)F)cc2C#N)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile?
The InChIKey is DTMCKGGWKMYSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c1-10-3-4-11(2)15(7-10)21-14-6-5-13(16(17,18)19)8-12(14)9-20/h3-8,21H,1-2H3.
What are the key properties of 2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile?
2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile has a molecular weight of 290.29 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43153539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).