4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile

C16H16N2O — CID 55129912

IUPAC4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
SMILESCOc1ccc(Nc2ccc(C#N)cc2C)c(C)c1
InChIInChI=1S/C16H16N2O/c1-11-8-13(10-17)4-6-15(11)18-16-7-5-14(19-3)9-12(16)2/h4-9,18H,1-3H3
InChIKeyLOWIDXLJLZQCEU-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.93
Rot. Bonds3

About 4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile

4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile (PubChem CID 55129912) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
PubChem CID55129912
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
SMILESCOc1ccc(Nc2ccc(C#N)cc2C)c(C)c1
InChIInChI=1S/C16H16N2O/c1-11-8-13(10-17)4-6-15(11)18-16-7-5-14(19-3)9-12(16)2/h4-9,18H,1-3H3
InChIKeyLOWIDXLJLZQCEU-UHFFFAOYSA-N
XLogP3.93
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxy-2-methylanilino)methyl]-3-methylbenzonitrile
CID 114480278
2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile
CID 62870994
3-chloro-4-(2-chloro-5-methoxyanilino)benzonitrile
CID 55194800
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
4-(4-fluoroanilino)-3-methylbenzonitrile
CID 54933992
4-[(2,4-dimethoxyanilino)methyl]-3-methylbenzonitrile
CID 114479588
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451
3-methyl-4-(methylamino)benzonitrile
CID 23343732
4-(2,5-difluoroanilino)-3-methylbenzonitrile
CID 54934561
3,5-difluoro-4-[(4-methoxy-2-methylanilino)methyl]benzonitrile
CID 107038342
2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile
CID 114252744
4-(4-methoxy-2-nitrosoanilino)benzonitrile
CID 91108712

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile?
The IUPAC name of 4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile (CID 55129912) is 4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile.
What is the SMILES notation for 4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile?
The canonical SMILES for 4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile is COc1ccc(Nc2ccc(C#N)cc2C)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile?
The InChIKey is LOWIDXLJLZQCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-8-13(10-17)4-6-15(11)18-16-7-5-14(19-3)9-12(16)2/h4-9,18H,1-3H3.
What are the key properties of 4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile?
4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile is sourced from PubChem (CID 55129912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).