2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile

C12H15FN2 — CID 123542022

IUPAC2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile
SMILESCCc1ccc(NC(C)(C)C#N)cc1F
InChIInChI=1S/C12H15FN2/c1-4-9-5-6-10(7-11(9)13)15-12(2,3)8-14/h5-7,15H,4H2,1-3H3
InChIKeyGSPOCSKQWZONTO-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.10
Rot. Bonds3

About 2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile

2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile (PubChem CID 123542022) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile
PubChem CID123542022
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile
SMILESCCc1ccc(NC(C)(C)C#N)cc1F
InChIInChI=1S/C12H15FN2/c1-4-9-5-6-10(7-11(9)13)15-12(2,3)8-14/h5-7,15H,4H2,1-3H3
InChIKeyGSPOCSKQWZONTO-UHFFFAOYSA-N
XLogP3.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylanilino)-2-methylpropanenitrile
CID 82125457
2-(4-chloroanilino)-2-methylpropanenitrile
CID 60719830
2-(4-ethylsulfanylanilino)-2-methylpropanenitrile
CID 115129026
2-(4-bromo-3-methylanilino)-2-methylpropanenitrile
CID 82131814
2-methyl-2-(3-methylanilino)propanenitrile
CID 60719838
N-cyclopentyl-4-ethyl-3-fluoroaniline
CID 118342641
4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline
CID 115758186
2-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]propanenitrile
CID 115129047
1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene
CID 170009086
4-[(4-ethylanilino)methyl]-3-fluorobenzonitrile
CID 28583209
ethane;2-methyl-2-[(6-oxo-1H-pyridin-3-yl)amino]propanenitrile
CID 144585006
4-amino-2-fluoro-N-(trideuteriomethyl)benzamide;4-(2-cyanopropan-2-ylamino)-2-fluoro-N-(trideuteriomethyl)benzamide;1,1,1,3,3,3-hexadeuteriopropan-2-one;trimethylsilylformonitrile
CID 159339258

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile?
The IUPAC name of 2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile (CID 123542022) is 2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile?
The canonical SMILES for 2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile is CCc1ccc(NC(C)(C)C#N)cc1F.
What is the InChIKey of 2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile?
The InChIKey is GSPOCSKQWZONTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-4-9-5-6-10(7-11(9)13)15-12(2,3)8-14/h5-7,15H,4H2,1-3H3.
What are the key properties of 2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile?
2-(4-ethyl-3-fluoroanilino)-2-methylpropanenitrile has a molecular weight of 206.26 g/mol, XLogP of 3.10, 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-fluoroanilino)-2-methylpropanenitrile is sourced from PubChem (CID 123542022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).