2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile

C15H11F3N2 — CID 81278129

IUPAC2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile
SMILESCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1C#N
InChIInChI=1S/C15H11F3N2/c1-10-7-14(6-5-11(10)9-19)20-13-4-2-3-12(8-13)15(16,17)18/h2-8,20H,1H3
InChIKeyYWZBVAZJUGXBNJ-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.63
Rot. Bonds2

About 2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile

2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile (PubChem CID 81278129) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile
PubChem CID81278129
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile
SMILESCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1C#N
InChIInChI=1S/C15H11F3N2/c1-10-7-14(6-5-11(10)9-19)20-13-4-2-3-12(8-13)15(16,17)18/h2-8,20H,1H3
InChIKeyYWZBVAZJUGXBNJ-UHFFFAOYSA-N
XLogP4.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 134627253
CID 163827776
CID 163827776
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
4-(4-chloroanilino)-2-methylbenzonitrile
CID 81277228
4-(diethoxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 58877126
2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43331086
4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile
CID 43138526
4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320672
4-(3,4-dimethylanilino)-2-fluorobenzonitrile
CID 113295516
2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile
CID 107585523
4-(3,5-dimethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320662
N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222081

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile?
The IUPAC name of 2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile (CID 81278129) is 2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile.
What is the SMILES notation for 2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile?
The canonical SMILES for 2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile is Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1C#N.
What is the InChIKey of 2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile?
The InChIKey is YWZBVAZJUGXBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c1-10-7-14(6-5-11(10)9-19)20-13-4-2-3-12(8-13)15(16,17)18/h2-8,20H,1H3.
What are the key properties of 2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile?
2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile has a molecular weight of 276.26 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile is sourced from PubChem (CID 81278129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).