2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile

C17H17FN2 — CID 79055219

IUPAC2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
SMILESCc1cc(F)cc(NC(C#N)c2ccc(C)cc2C)c1
InChIInChI=1S/C17H17FN2/c1-11-4-5-16(13(3)6-11)17(10-19)20-15-8-12(2)7-14(18)9-15/h4-9,17,20H,1-3H3
InChIKeyQAAVTDNVZSXOCS-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.43
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile

2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile (PubChem CID 79055219) has the molecular formula C17H17FN2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
PubChem CID79055219
Molecular FormulaC17H17FN2
Molecular Weight268.33 g/mol
Exact Mass268.14
IUPAC Name2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
SMILESCc1cc(F)cc(NC(C#N)c2ccc(C)cc2C)c1
InChIInChI=1S/C17H17FN2/c1-11-4-5-16(13(3)6-11)17(10-19)20-15-8-12(2)7-14(18)9-15/h4-9,17,20H,1-3H3
InChIKeyQAAVTDNVZSXOCS-UHFFFAOYSA-N
XLogP4.43
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 79055455
2-(3-fluoro-5-methylanilino)-2-phenylacetonitrile
CID 79055050
2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 79055378
2-(3-fluoro-5-methylanilino)-2-(3-methylthiophen-2-yl)acetonitrile
CID 79055379
2-(3-bromothiophen-2-yl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 113298137
2-(4-bromothiophen-2-yl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 79055548
2-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 54892774
2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
CID 43115225
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 79049542
2-(4-bromo-2-fluorophenyl)-2-(3-methylanilino)acetonitrile
CID 54886740
2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62585695
2-(3-fluoro-5-methylanilino)-2-(1-methylpyrazol-4-yl)acetonitrile
CID 79054970

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile (CID 79055219) is 2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile is Cc1cc(F)cc(NC(C#N)c2ccc(C)cc2C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile?
The InChIKey is QAAVTDNVZSXOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-11-4-5-16(13(3)6-11)17(10-19)20-15-8-12(2)7-14(18)9-15/h4-9,17,20H,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile?
2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile has a molecular weight of 268.33 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile is sourced from PubChem (CID 79055219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).