2-(4-ethylanilino)-5-methylbenzonitrile

C16H16N2 — CID 114016768

IUPAC2-(4-ethylanilino)-5-methylbenzonitrile
SMILESCCc1ccc(Nc2ccc(C)cc2C#N)cc1
InChIInChI=1S/C16H16N2/c1-3-13-5-7-15(8-6-13)18-16-9-4-12(2)10-14(16)11-17/h4-10,18H,3H2,1-2H3
InChIKeyZUXUTMCBASAQLO-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.17
Rot. Bonds3

About 2-(4-ethylanilino)-5-methylbenzonitrile

2-(4-ethylanilino)-5-methylbenzonitrile (PubChem CID 114016768) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(4-ethylanilino)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(4-ethylanilino)-5-methylbenzonitrile
PubChem CID114016768
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(4-ethylanilino)-5-methylbenzonitrile
SMILESCCc1ccc(Nc2ccc(C)cc2C#N)cc1
InChIInChI=1S/C16H16N2/c1-3-13-5-7-15(8-6-13)18-16-9-4-12(2)10-14(16)11-17/h4-10,18H,3H2,1-2H3
InChIKeyZUXUTMCBASAQLO-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-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
2-(3,4-dimethylanilino)-5-methylbenzonitrile
CID 107926959
5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile
CID 107926997
2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile
CID 107931679
5-bromo-2-(4-methylanilino)benzonitrile
CID 114890405
2-(4-butylanilino)-5-fluorobenzonitrile
CID 63668868
2-(3-ethylanilino)-4-methylbenzonitrile
CID 55195560
2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
CID 107927006
2-(3-iodoanilino)-5-methylbenzonitrile
CID 114016786
2-bromo-4-(4-ethylanilino)benzonitrile
CID 107275838
5-methyl-2-(pentan-3-ylamino)benzonitrile
CID 107926818
5-methyl-2-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 107927707

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-5-methylbenzonitrile?
The IUPAC name of 2-(4-ethylanilino)-5-methylbenzonitrile (CID 114016768) is 2-(4-ethylanilino)-5-methylbenzonitrile.
What is the SMILES notation for 2-(4-ethylanilino)-5-methylbenzonitrile?
The canonical SMILES for 2-(4-ethylanilino)-5-methylbenzonitrile is CCc1ccc(Nc2ccc(C)cc2C#N)cc1.
What is the InChIKey of 2-(4-ethylanilino)-5-methylbenzonitrile?
The InChIKey is ZUXUTMCBASAQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-3-13-5-7-15(8-6-13)18-16-9-4-12(2)10-14(16)11-17/h4-10,18H,3H2,1-2H3.
What are the key properties of 2-(4-ethylanilino)-5-methylbenzonitrile?
2-(4-ethylanilino)-5-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-(4-ethylanilino)-5-methylbenzonitrile is sourced from PubChem (CID 114016768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).