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

C16H16N2 — CID 107926938

IUPAC2-(3,5-dimethylanilino)-5-methylbenzonitrile
SMILESCc1cc(C)cc(Nc2ccc(C)cc2C#N)c1
InChIInChI=1S/C16H16N2/c1-11-4-5-16(14(7-11)10-17)18-15-8-12(2)6-13(3)9-15/h4-9,18H,1-3H3
InChIKeyHXWAJGKMESSCAI-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.23
Rot. Bonds2

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

2-(3,5-dimethylanilino)-5-methylbenzonitrile (PubChem CID 107926938) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-5-methylbenzonitrile
PubChem CID107926938
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(3,5-dimethylanilino)-5-methylbenzonitrile
SMILESCc1cc(C)cc(Nc2ccc(C)cc2C#N)c1
InChIInChI=1S/C16H16N2/c1-11-4-5-16(14(7-11)10-17)18-15-8-12(2)6-13(3)9-15/h4-9,18H,1-3H3
InChIKeyHXWAJGKMESSCAI-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

2-(3,4-dimethylanilino)-5-methylbenzonitrile
CID 107926959
2-(4-ethylanilino)-5-methylbenzonitrile
CID 114016768
5-bromo-2-(4-methylanilino)benzonitrile
CID 114890405
2-(3-iodoanilino)-5-methylbenzonitrile
CID 114016786
5-methyl-2-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 107927707
2-(2,5-dibromoanilino)-5-methylbenzonitrile
CID 114016820
5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile
CID 107926997
3-(2-cyano-4-methylanilino)benzoic acid
CID 107926588
2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
CID 107927006
2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile
CID 107927736
2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile
CID 107931679
2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile
CID 107927968

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-5-methylbenzonitrile?
The IUPAC name of 2-(3,5-dimethylanilino)-5-methylbenzonitrile (CID 107926938) is 2-(3,5-dimethylanilino)-5-methylbenzonitrile.
What is the SMILES notation for 2-(3,5-dimethylanilino)-5-methylbenzonitrile?
The canonical SMILES for 2-(3,5-dimethylanilino)-5-methylbenzonitrile is Cc1cc(C)cc(Nc2ccc(C)cc2C#N)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-5-methylbenzonitrile?
The InChIKey is HXWAJGKMESSCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-4-5-16(14(7-11)10-17)18-15-8-12(2)6-13(3)9-15/h4-9,18H,1-3H3.
What are the key properties of 2-(3,5-dimethylanilino)-5-methylbenzonitrile?
2-(3,5-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-(3,5-dimethylanilino)-5-methylbenzonitrile is sourced from PubChem (CID 107926938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).