2-(2,5-dimethylanilino)benzonitrile

C15H14N2 — CID 11746208

IUPAC2-(2,5-dimethylanilino)benzonitrile
SMILESCc1ccc(C)c(Nc2ccccc2C#N)c1
InChIInChI=1S/C15H14N2/c1-11-7-8-12(2)15(9-11)17-14-6-4-3-5-13(14)10-16/h3-9,17H,1-2H3
InChIKeyDYMIFJIKPCKWBG-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.92
Rot. Bonds2

About 2-(2,5-dimethylanilino)benzonitrile

2-(2,5-dimethylanilino)benzonitrile (PubChem CID 11746208) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)benzonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)benzonitrile
PubChem CID11746208
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-(2,5-dimethylanilino)benzonitrile
SMILESCc1ccc(C)c(Nc2ccccc2C#N)c1
InChIInChI=1S/C15H14N2/c1-11-7-8-12(2)15(9-11)17-14-6-4-3-5-13(14)10-16/h3-9,17H,1-2H3
InChIKeyDYMIFJIKPCKWBG-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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Related Compounds

4-methyl-2-(2-methylanilino)benzonitrile
CID 62302441
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
CID 114016776
2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43153539
4-(2,5-dimethylanilino)-2-methylbenzonitrile
CID 81277304
N-(2-cyanophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290955
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
2-(3-bromo-4-methylanilino)benzonitrile
CID 63512186
2-[2-(difluoromethylsulfanyl)anilino]-5-methylbenzonitrile
CID 107926868
2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
CID 55056695
4-(2,5-dimethylanilino)-2-fluorobenzonitrile
CID 115367051

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)benzonitrile?
The IUPAC name of 2-(2,5-dimethylanilino)benzonitrile (CID 11746208) is 2-(2,5-dimethylanilino)benzonitrile.
What is the SMILES notation for 2-(2,5-dimethylanilino)benzonitrile?
The canonical SMILES for 2-(2,5-dimethylanilino)benzonitrile is Cc1ccc(C)c(Nc2ccccc2C#N)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)benzonitrile?
The InChIKey is DYMIFJIKPCKWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-7-8-12(2)15(9-11)17-14-6-4-3-5-13(14)10-16/h3-9,17H,1-2H3.
What are the key properties of 2-(2,5-dimethylanilino)benzonitrile?
2-(2,5-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 2-(2,5-dimethylanilino)benzonitrile is sourced from PubChem (CID 11746208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).