4-(2,5-dimethylanilino)-2-methylbenzonitrile

C16H16N2 — CID 81277304

IUPAC4-(2,5-dimethylanilino)-2-methylbenzonitrile
SMILESCc1ccc(C)c(Nc2ccc(C#N)c(C)c2)c1
InChIInChI=1S/C16H16N2/c1-11-4-5-12(2)16(8-11)18-15-7-6-14(10-17)13(3)9-15/h4-9,18H,1-3H3
InChIKeyVBZNMQMRYXCEPW-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.23
Rot. Bonds2

About 4-(2,5-dimethylanilino)-2-methylbenzonitrile

4-(2,5-dimethylanilino)-2-methylbenzonitrile (PubChem CID 81277304) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(2,5-dimethylanilino)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(2,5-dimethylanilino)-2-methylbenzonitrile
PubChem CID81277304
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name4-(2,5-dimethylanilino)-2-methylbenzonitrile
SMILESCc1ccc(C)c(Nc2ccc(C#N)c(C)c2)c1
InChIInChI=1S/C16H16N2/c1-11-4-5-12(2)16(8-11)18-15-7-6-14(10-17)13(3)9-15/h4-9,18H,1-3H3
InChIKeyVBZNMQMRYXCEPW-UHFFFAOYSA-N
XLogP4.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dimethylanilino)-2-fluorobenzonitrile
CID 115367051
2-(3,4-dimethylanilino)-5-methylbenzonitrile
CID 107926959
4-methyl-2-[4-methyl-3-(trifluoromethyl)anilino]benzonitrile
CID 63511324
2-methyl-4-(2,4,5-trichloroanilino)benzonitrile
CID 81278130
2-(2,5-dimethylanilino)benzonitrile
CID 11746208
2-chloro-4-(2,4-dimethylanilino)benzonitrile
CID 55194599
4-(4-chloroanilino)-2-methylbenzonitrile
CID 81277228
4-methyl-2-(2-methylanilino)benzonitrile
CID 62302441
2-[4-(dimethylamino)anilino]-4-methylbenzonitrile
CID 55057077
2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile
CID 107585523
2-chloro-4-(5-fluoro-2-methylanilino)benzonitrile
CID 55194420
2-bromo-4-(2-chloro-5-methylanilino)benzonitrile
CID 107635147

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylanilino)-2-methylbenzonitrile?
The IUPAC name of 4-(2,5-dimethylanilino)-2-methylbenzonitrile (CID 81277304) is 4-(2,5-dimethylanilino)-2-methylbenzonitrile.
What is the SMILES notation for 4-(2,5-dimethylanilino)-2-methylbenzonitrile?
The canonical SMILES for 4-(2,5-dimethylanilino)-2-methylbenzonitrile is Cc1ccc(C)c(Nc2ccc(C#N)c(C)c2)c1.
What is the InChIKey of 4-(2,5-dimethylanilino)-2-methylbenzonitrile?
The InChIKey is VBZNMQMRYXCEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-4-5-12(2)16(8-11)18-15-7-6-14(10-17)13(3)9-15/h4-9,18H,1-3H3.
What are the key properties of 4-(2,5-dimethylanilino)-2-methylbenzonitrile?
4-(2,5-dimethylanilino)-2-methylbenzonitrile has a molecular weight of 236.32 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylanilino)-2-methylbenzonitrile is sourced from PubChem (CID 81277304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).