4-(2,4-dimethylanilino)benzonitrile

C15H14N2 — CID 29269980

IUPAC4-(2,4-dimethylanilino)benzonitrile
SMILESCc1ccc(Nc2ccc(C#N)cc2)c(C)c1
InChIInChI=1S/C15H14N2/c1-11-3-8-15(12(2)9-11)17-14-6-4-13(10-16)5-7-14/h3-9,17H,1-2H3
InChIKeyCTULTAHOSVPAIN-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.92
Rot. Bonds2

About 4-(2,4-dimethylanilino)benzonitrile

4-(2,4-dimethylanilino)benzonitrile (PubChem CID 29269980) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(2,4-dimethylanilino)benzonitrile.

Molecular Properties

Compound Name4-(2,4-dimethylanilino)benzonitrile
PubChem CID29269980
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-(2,4-dimethylanilino)benzonitrile
SMILESCc1ccc(Nc2ccc(C#N)cc2)c(C)c1
InChIInChI=1S/C15H14N2/c1-11-3-8-15(12(2)9-11)17-14-6-4-13(10-16)5-7-14/h3-9,17H,1-2H3
InChIKeyCTULTAHOSVPAIN-UHFFFAOYSA-N
XLogP3.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylanilino)benzonitrile?
The IUPAC name of 4-(2,4-dimethylanilino)benzonitrile (CID 29269980) is 4-(2,4-dimethylanilino)benzonitrile.
What is the SMILES notation for 4-(2,4-dimethylanilino)benzonitrile?
The canonical SMILES for 4-(2,4-dimethylanilino)benzonitrile is Cc1ccc(Nc2ccc(C#N)cc2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylanilino)benzonitrile?
The InChIKey is CTULTAHOSVPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-3-8-15(12(2)9-11)17-14-6-4-13(10-16)5-7-14/h3-9,17H,1-2H3.
What are the key properties of 4-(2,4-dimethylanilino)benzonitrile?
4-(2,4-dimethylanilino)benzonitrile has a molecular weight of 222.29 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylanilino)benzonitrile is sourced from PubChem (CID 29269980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).