2-(3-ethylanilino)-4-methylbenzonitrile

C16H16N2 — CID 55195560

IUPAC2-(3-ethylanilino)-4-methylbenzonitrile
SMILESCCc1cccc(Nc2cc(C)ccc2C#N)c1
InChIInChI=1S/C16H16N2/c1-3-13-5-4-6-15(10-13)18-16-9-12(2)7-8-14(16)11-17/h4-10,18H,3H2,1-2H3
InChIKeyVGAAAWXVGTUWTG-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.17
Rot. Bonds3

About 2-(3-ethylanilino)-4-methylbenzonitrile

2-(3-ethylanilino)-4-methylbenzonitrile (PubChem CID 55195560) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(3-ethylanilino)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(3-ethylanilino)-4-methylbenzonitrile
PubChem CID55195560
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(3-ethylanilino)-4-methylbenzonitrile
SMILESCCc1cccc(Nc2cc(C)ccc2C#N)c1
InChIInChI=1S/C16H16N2/c1-3-13-5-4-6-15(10-13)18-16-9-12(2)7-8-14(16)11-17/h4-10,18H,3H2,1-2H3
InChIKeyVGAAAWXVGTUWTG-UHFFFAOYSA-N
XLogP4.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-4-methylbenzonitrile
CID 55194414
4-methyl-2-[3-(trifluoromethoxy)anilino]benzonitrile
CID 63510416
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776
4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320672
2-(4-ethylanilino)-5-methylbenzonitrile
CID 114016768
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile
CID 62313204
4-methyl-2-(2-methylanilino)benzonitrile
CID 62302441
2-[4-(dimethylamino)anilino]-4-methylbenzonitrile
CID 55057077
4-methyl-2-[4-methyl-3-(trifluoromethyl)anilino]benzonitrile
CID 63511324
4-(2,5-dimethylanilino)-2-methylbenzonitrile
CID 81277304
2-(3-iodoanilino)-5-methylbenzonitrile
CID 114016786
4-methyl-2-(4-methylsulfonylanilino)benzonitrile
CID 62302949

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylanilino)-4-methylbenzonitrile?
The IUPAC name of 2-(3-ethylanilino)-4-methylbenzonitrile (CID 55195560) is 2-(3-ethylanilino)-4-methylbenzonitrile.
What is the SMILES notation for 2-(3-ethylanilino)-4-methylbenzonitrile?
The canonical SMILES for 2-(3-ethylanilino)-4-methylbenzonitrile is CCc1cccc(Nc2cc(C)ccc2C#N)c1.
What is the InChIKey of 2-(3-ethylanilino)-4-methylbenzonitrile?
The InChIKey is VGAAAWXVGTUWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-3-13-5-4-6-15(10-13)18-16-9-12(2)7-8-14(16)11-17/h4-10,18H,3H2,1-2H3.
What are the key properties of 2-(3-ethylanilino)-4-methylbenzonitrile?
2-(3-ethylanilino)-4-methylbenzonitrile has a molecular weight of 236.32 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylanilino)-4-methylbenzonitrile is sourced from PubChem (CID 55195560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).