3-methyl-4-(methylamino)benzonitrile

C9H10N2 — CID 23343732

IUPAC3-methyl-4-(methylamino)benzonitrile
SMILESCNc1ccc(C#N)cc1C
InChIInChI=1S/C9H10N2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5,11H,1-2H3
InChIKeyYNELGXFGZBODLW-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.91
Rot. Bonds1

About 3-methyl-4-(methylamino)benzonitrile

3-methyl-4-(methylamino)benzonitrile (PubChem CID 23343732) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)benzonitrile.

Molecular Properties

Compound Name3-methyl-4-(methylamino)benzonitrile
PubChem CID23343732
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-methyl-4-(methylamino)benzonitrile
SMILESCNc1ccc(C#N)cc1C
InChIInChI=1S/C9H10N2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5,11H,1-2H3
InChIKeyYNELGXFGZBODLW-UHFFFAOYSA-N
XLogP1.91
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(methylamino)benzonitrile
CID 21029569
4-(ethoxyamino)-3-methylbenzonitrile
CID 123976068
3-methyl-4-(2,2,2-trifluoroethylamino)benzonitrile
CID 60930131
4-amino-3-methylbenzonitrile
CID 7010316
4-(4-fluoroanilino)-3-methylbenzonitrile
CID 54933992
4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
3-methyl-4-(2-methylsulfanylethylamino)benzonitrile
CID 63965457
4-(1-aminopropan-2-ylamino)-3-methylbenzonitrile
CID 63733387
3-methyl-4-(3-methylanilino)benzonitrile
CID 54934182
4-methyl-3-(2-methylhydrazinyl)benzonitrile
CID 143275745
4-cyano-2-(methylamino)benzoic acid
CID 130869011

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)benzonitrile?
The IUPAC name of 3-methyl-4-(methylamino)benzonitrile (CID 23343732) is 3-methyl-4-(methylamino)benzonitrile.
What is the SMILES notation for 3-methyl-4-(methylamino)benzonitrile?
The canonical SMILES for 3-methyl-4-(methylamino)benzonitrile is CNc1ccc(C#N)cc1C.
What is the InChIKey of 3-methyl-4-(methylamino)benzonitrile?
The InChIKey is YNELGXFGZBODLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5,11H,1-2H3.
What are the key properties of 3-methyl-4-(methylamino)benzonitrile?
3-methyl-4-(methylamino)benzonitrile has a molecular weight of 146.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)benzonitrile is sourced from PubChem (CID 23343732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).