2-(2,6-dimethylanilino)benzonitrile

C15H14N2 — CID 29041998

IUPAC2-(2,6-dimethylanilino)benzonitrile
SMILESCc1cccc(C)c1Nc1ccccc1C#N
InChIInChI=1S/C15H14N2/c1-11-6-5-7-12(2)15(11)17-14-9-4-3-8-13(14)10-16/h3-9,17H,1-2H3
InChIKeyGNAFPHCSGFVUSF-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.92
Rot. Bonds2

About 2-(2,6-dimethylanilino)benzonitrile

2-(2,6-dimethylanilino)benzonitrile (PubChem CID 29041998) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)benzonitrile.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)benzonitrile
PubChem CID29041998
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-(2,6-dimethylanilino)benzonitrile
SMILESCc1cccc(C)c1Nc1ccccc1C#N
InChIInChI=1S/C15H14N2/c1-11-6-5-7-12(2)15(11)17-14-9-4-3-8-13(14)10-16/h3-9,17H,1-2H3
InChIKeyGNAFPHCSGFVUSF-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

2-(2-amino-6-methylanilino)benzonitrile
CID 113333675
2-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877501
2-(2-bromoanilino)-3-methylbenzonitrile
CID 107106356
3-methyl-2-(naphthalen-1-ylamino)benzonitrile
CID 107106270
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
2-(4-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107107135
2-(5-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107798558
2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile
CID 107106440
2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43331086
2-(2,5-dimethylanilino)benzonitrile
CID 11746208
2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile
CID 107107220
2-(5-chloro-2-methylanilino)-3-methylbenzonitrile
CID 107106403

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)benzonitrile?
The IUPAC name of 2-(2,6-dimethylanilino)benzonitrile (CID 29041998) is 2-(2,6-dimethylanilino)benzonitrile.
What is the SMILES notation for 2-(2,6-dimethylanilino)benzonitrile?
The canonical SMILES for 2-(2,6-dimethylanilino)benzonitrile is Cc1cccc(C)c1Nc1ccccc1C#N.
What is the InChIKey of 2-(2,6-dimethylanilino)benzonitrile?
The InChIKey is GNAFPHCSGFVUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-6-5-7-12(2)15(11)17-14-9-4-3-8-13(14)10-16/h3-9,17H,1-2H3.
What are the key properties of 2-(2,6-dimethylanilino)benzonitrile?
2-(2,6-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-(2,6-dimethylanilino)benzonitrile is sourced from PubChem (CID 29041998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).