2-(3,4-dimethylanilino)-5-methylbenzonitrile

C16H16N2 — CID 107926959

IUPAC2-(3,4-dimethylanilino)-5-methylbenzonitrile
SMILESCc1ccc(Nc2ccc(C)c(C)c2)c(C#N)c1
InChIInChI=1S/C16H16N2/c1-11-4-7-16(14(8-11)10-17)18-15-6-5-12(2)13(3)9-15/h4-9,18H,1-3H3
InChIKeySIUKTYNPZKPFKD-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.23
Rot. Bonds2

About 2-(3,4-dimethylanilino)-5-methylbenzonitrile

2-(3,4-dimethylanilino)-5-methylbenzonitrile (PubChem CID 107926959) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-5-methylbenzonitrile
PubChem CID107926959
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(3,4-dimethylanilino)-5-methylbenzonitrile
SMILESCc1ccc(Nc2ccc(C)c(C)c2)c(C#N)c1
InChIInChI=1S/C16H16N2/c1-11-4-7-16(14(8-11)10-17)18-15-6-5-12(2)13(3)9-15/h4-9,18H,1-3H3
InChIKeySIUKTYNPZKPFKD-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

5-bromo-2-(3,4-dimethylanilino)benzonitrile
CID 114890407
2-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
4-(2,5-dimethylanilino)-2-methylbenzonitrile
CID 81277304
2-(4-ethylanilino)-5-methylbenzonitrile
CID 114016768
2-(3-iodoanilino)-5-methylbenzonitrile
CID 114016786
4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine
CID 101290973
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
CID 114016776
5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile
CID 107926997
5-bromo-2-(4-methylanilino)benzonitrile
CID 114890405
2-chloro-4-(2,4-dimethylanilino)benzonitrile
CID 55194599
4-(2,5-dimethylanilino)-2-fluorobenzonitrile
CID 115367051
3-(2-cyano-4-methylanilino)benzoic acid
CID 107926588

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-5-methylbenzonitrile?
The IUPAC name of 2-(3,4-dimethylanilino)-5-methylbenzonitrile (CID 107926959) is 2-(3,4-dimethylanilino)-5-methylbenzonitrile.
What is the SMILES notation for 2-(3,4-dimethylanilino)-5-methylbenzonitrile?
The canonical SMILES for 2-(3,4-dimethylanilino)-5-methylbenzonitrile is Cc1ccc(Nc2ccc(C)c(C)c2)c(C#N)c1.
What is the InChIKey of 2-(3,4-dimethylanilino)-5-methylbenzonitrile?
The InChIKey is SIUKTYNPZKPFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-4-7-16(14(8-11)10-17)18-15-6-5-12(2)13(3)9-15/h4-9,18H,1-3H3.
What are the key properties of 2-(3,4-dimethylanilino)-5-methylbenzonitrile?
2-(3,4-dimethylanilino)-5-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 2-(3,4-dimethylanilino)-5-methylbenzonitrile is sourced from PubChem (CID 107926959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).