4-methyl-2-(N,2,4-trimethylanilino)benzonitrile

C17H18N2 — CID 63511662

IUPAC4-methyl-2-(N,2,4-trimethylanilino)benzonitrile
SMILESCc1ccc(N(C)c2cc(C)ccc2C#N)c(C)c1
InChIInChI=1S/C17H18N2/c1-12-6-8-16(14(3)9-12)19(4)17-10-13(2)5-7-15(17)11-18/h5-10H,1-4H3
InChIKeyOZNSNKVTPOHLGT-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.25
Rot. Bonds2

About 4-methyl-2-(N,2,4-trimethylanilino)benzonitrile

4-methyl-2-(N,2,4-trimethylanilino)benzonitrile (PubChem CID 63511662) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methyl-2-(N,2,4-trimethylanilino)benzonitrile.

Molecular Properties

Compound Name4-methyl-2-(N,2,4-trimethylanilino)benzonitrile
PubChem CID63511662
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name4-methyl-2-(N,2,4-trimethylanilino)benzonitrile
SMILESCc1ccc(N(C)c2cc(C)ccc2C#N)c(C)c1
InChIInChI=1S/C17H18N2/c1-12-6-8-16(14(3)9-12)19(4)17-10-13(2)5-7-15(17)11-18/h5-10H,1-4H3
InChIKeyOZNSNKVTPOHLGT-UHFFFAOYSA-N
XLogP4.25
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(N,2,4-trimethylanilino)benzonitrile
CID 114890621
2-bromo-4-(N,2,4-trimethylanilino)benzonitrile
CID 107276246
3-chloro-4-(N,2,4-trimethylanilino)benzonitrile
CID 63511821
4-amino-3-(N,2,4-trimethylanilino)benzonitrile
CID 104711826
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
2-methoxy-5-[(N,2,4-trimethylanilino)methyl]benzonitrile
CID 65343788
4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzonitrile
CID 63864723
methyl 2-(2-cyano-N,5-dimethylanilino)acetate
CID 62308388
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
4-methyl-2-[methyl(pentan-2-yl)amino]benzonitrile
CID 62302957
2-(2-cyano-N,5-dimethylanilino)acetic acid
CID 62308954
4-methyl-2-[methyl(2-methylbutyl)amino]benzonitrile
CID 62302619

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(N,2,4-trimethylanilino)benzonitrile?
The IUPAC name of 4-methyl-2-(N,2,4-trimethylanilino)benzonitrile (CID 63511662) is 4-methyl-2-(N,2,4-trimethylanilino)benzonitrile.
What is the SMILES notation for 4-methyl-2-(N,2,4-trimethylanilino)benzonitrile?
The canonical SMILES for 4-methyl-2-(N,2,4-trimethylanilino)benzonitrile is Cc1ccc(N(C)c2cc(C)ccc2C#N)c(C)c1.
What is the InChIKey of 4-methyl-2-(N,2,4-trimethylanilino)benzonitrile?
The InChIKey is OZNSNKVTPOHLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-12-6-8-16(14(3)9-12)19(4)17-10-13(2)5-7-15(17)11-18/h5-10H,1-4H3.
What are the key properties of 4-methyl-2-(N,2,4-trimethylanilino)benzonitrile?
4-methyl-2-(N,2,4-trimethylanilino)benzonitrile has a molecular weight of 250.34 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(N,2,4-trimethylanilino)benzonitrile is sourced from PubChem (CID 63511662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).