2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile

C16H13F3N2 — CID 43331086

IUPAC2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile
SMILESCc1cccc(C)c1Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C16H13F3N2/c1-10-4-3-5-11(2)15(10)21-14-7-6-13(16(17,18)19)8-12(14)9-20/h3-8,21H,1-2H3
InChIKeyJCSRXNYWAVRJNN-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.94
Rot. Bonds2

About 2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile

2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile (PubChem CID 43331086) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile
PubChem CID43331086
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile
SMILESCc1cccc(C)c1Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C16H13F3N2/c1-10-4-3-5-11(2)15(10)21-14-7-6-13(16(17,18)19)8-12(14)9-20/h3-8,21H,1-2H3
InChIKeyJCSRXNYWAVRJNN-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

Analyze 2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile 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

2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile
CID 65467469
2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43153539
2-(2-amino-4-methylanilino)-5-(trifluoromethyl)benzonitrile
CID 115910953
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile
CID 43331039
2-(4-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107107135
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
2-[2-cyano-4-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 61264554
2-[3-chloro-5-(trifluoromethyl)anilino]-3-methylbenzonitrile
CID 107107305
3-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 107106837
2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile
CID 43555845
2-(4-bromo-3-fluoroanilino)-5-(trifluoromethyl)benzonitrile
CID 65436552

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile (CID 43331086) is 2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile is Cc1cccc(C)c1Nc1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of 2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile?
The InChIKey is JCSRXNYWAVRJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c1-10-4-3-5-11(2)15(10)21-14-7-6-13(16(17,18)19)8-12(14)9-20/h3-8,21H,1-2H3.
What are the key properties of 2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile?
2-(2,6-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-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43331086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).