2-(4-ethyl-3-methylanilino)propanenitrile

C12H16N2 — CID 130495587

IUPAC2-(4-ethyl-3-methylanilino)propanenitrile
SMILESCCc1ccc(NC(C)C#N)cc1C
InChIInChI=1S/C12H16N2/c1-4-11-5-6-12(7-9(11)2)14-10(3)8-13/h5-7,10,14H,4H2,1-3H3
InChIKeyRWSKRMHOVUXXTR-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.88
Rot. Bonds3

About 2-(4-ethyl-3-methylanilino)propanenitrile

2-(4-ethyl-3-methylanilino)propanenitrile (PubChem CID 130495587) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylanilino)propanenitrile.

Molecular Properties

Compound Name2-(4-ethyl-3-methylanilino)propanenitrile
PubChem CID130495587
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(4-ethyl-3-methylanilino)propanenitrile
SMILESCCc1ccc(NC(C)C#N)cc1C
InChIInChI=1S/C12H16N2/c1-4-11-5-6-12(7-9(11)2)14-10(3)8-13/h5-7,10,14H,4H2,1-3H3
InChIKeyRWSKRMHOVUXXTR-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-methyl-3-(trifluoromethyl)anilino]propanenitrile
CID 60706592
methyl 3-(4-ethyl-3-methylanilino)butanoate
CID 113357607
2-(4-fluoro-3-methylanilino)butanenitrile
CID 62811200
2-(4-chloroanilino)propanenitrile
CID 60987659
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
CID 113346577
3-amino-N-(4-ethyl-3-methylphenyl)-2-methyl-3-sulfanylidenepropanamide
CID 114250349
4-ethyl-3-methyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 114250217
2-(3,4-dimethylanilino)-4-methylpentanenitrile
CID 82127096
2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile
CID 115129936
2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]propanenitrile
CID 115129916
4-(3-ethylpentan-2-ylamino)-2-methylbenzonitrile
CID 81279555
4-(difluoromethyl)-1-ethyl-2-methylbenzene
CID 89190033

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylanilino)propanenitrile?
The IUPAC name of 2-(4-ethyl-3-methylanilino)propanenitrile (CID 130495587) is 2-(4-ethyl-3-methylanilino)propanenitrile.
What is the SMILES notation for 2-(4-ethyl-3-methylanilino)propanenitrile?
The canonical SMILES for 2-(4-ethyl-3-methylanilino)propanenitrile is CCc1ccc(NC(C)C#N)cc1C.
What is the InChIKey of 2-(4-ethyl-3-methylanilino)propanenitrile?
The InChIKey is RWSKRMHOVUXXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-11-5-6-12(7-9(11)2)14-10(3)8-13/h5-7,10,14H,4H2,1-3H3.
What are the key properties of 2-(4-ethyl-3-methylanilino)propanenitrile?
2-(4-ethyl-3-methylanilino)propanenitrile has a molecular weight of 188.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylanilino)propanenitrile is sourced from PubChem (CID 130495587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).