2-(4-ethylanilino)-2-methylpropanenitrile

C12H16N2 — CID 82125457

IUPAC2-(4-ethylanilino)-2-methylpropanenitrile
SMILESCCc1ccc(NC(C)(C)C#N)cc1
InChIInChI=1S/C12H16N2/c1-4-10-5-7-11(8-6-10)14-12(2,3)9-13/h5-8,14H,4H2,1-3H3
InChIKeyFOLOIBSHRVITBO-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.96
Rot. Bonds3

About 2-(4-ethylanilino)-2-methylpropanenitrile

2-(4-ethylanilino)-2-methylpropanenitrile (PubChem CID 82125457) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(4-ethylanilino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-ethylanilino)-2-methylpropanenitrile
PubChem CID82125457
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(4-ethylanilino)-2-methylpropanenitrile
SMILESCCc1ccc(NC(C)(C)C#N)cc1
InChIInChI=1S/C12H16N2/c1-4-10-5-7-11(8-6-10)14-12(2,3)9-13/h5-8,14H,4H2,1-3H3
InChIKeyFOLOIBSHRVITBO-UHFFFAOYSA-N
XLogP2.96
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-ethylaniline
CID 58745565
2-(4-ethylsulfanylanilino)-2-methylpropanenitrile
CID 115129026
2-(4-chloroanilino)-2-methylpropanenitrile
CID 60719830
2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile
CID 123542022
2-[[2-(4-ethylphenyl)-2-methylpropyl]amino]-2-methylpropanenitrile
CID 115129774
N-(2-cyanopropan-2-yl)-4-ethylbenzamide
CID 60967523
4-aminophenol;2-(4-hydroxyanilino)-2-methylpropanenitrile
CID 160920367
N,4-diethylaniline
CID 6429431
3-[(4-ethylphenyl)methylamino]-2,2-dimethylpropanenitrile
CID 104587185
2-(4-ethylphenyl)sulfanyl-2-methylpropanenitrile
CID 117034061
2-(4-bromo-3-methylanilino)-2-methylpropanenitrile
CID 82131814
N-(2-cyanobutan-2-yl)-4-ethylbenzamide
CID 51089526

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-2-methylpropanenitrile?
The IUPAC name of 2-(4-ethylanilino)-2-methylpropanenitrile (CID 82125457) is 2-(4-ethylanilino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-ethylanilino)-2-methylpropanenitrile?
The canonical SMILES for 2-(4-ethylanilino)-2-methylpropanenitrile is CCc1ccc(NC(C)(C)C#N)cc1.
What is the InChIKey of 2-(4-ethylanilino)-2-methylpropanenitrile?
The InChIKey is FOLOIBSHRVITBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-10-5-7-11(8-6-10)14-12(2,3)9-13/h5-8,14H,4H2,1-3H3.
What are the key properties of 2-(4-ethylanilino)-2-methylpropanenitrile?
2-(4-ethylanilino)-2-methylpropanenitrile has a molecular weight of 188.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-2-methylpropanenitrile is sourced from PubChem (CID 82125457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).