2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile

C16H16N2O3 — CID 155289999

IUPAC2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile
SMILESCOc1ccc(Nc2c(C#N)cccc2OC)c(OC)c1
InChIInChI=1S/C16H16N2O3/c1-19-12-7-8-13(15(9-12)21-3)18-16-11(10-17)5-4-6-14(16)20-2/h4-9,18H,1-3H3
InChIKeyXUZORSHQNZWSTO-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.33
Rot. Bonds5

About 2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile

2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile (PubChem CID 155289999) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile
PubChem CID155289999
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile
SMILESCOc1ccc(Nc2c(C#N)cccc2OC)c(OC)c1
InChIInChI=1S/C16H16N2O3/c1-19-12-7-8-13(15(9-12)21-3)18-16-11(10-17)5-4-6-14(16)20-2/h4-9,18H,1-3H3
InChIKeyXUZORSHQNZWSTO-UHFFFAOYSA-N
XLogP3.33
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile
CID 107927968
2-(2-aminoanilino)-3-methoxybenzonitrile
CID 107466495
2-(2-amino-3-chloroanilino)-3-methoxybenzonitrile
CID 107466457
2-(2-fluoro-5-methoxyanilino)-3-methylbenzonitrile
CID 107107062
2-(4-amino-3-methylanilino)-3-methoxybenzonitrile
CID 107466454
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180
6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 71779766
2-(4-chloro-2-methoxy-5-methylanilino)-3-methylbenzonitrile
CID 107106284
2-(2,4-dimethoxyanilino)-2-methylpropanenitrile
CID 82127644
2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107741174
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-3-methoxybenzonitrile
CID 107468954
4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile
CID 62926532

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile?
The IUPAC name of 2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile (CID 155289999) is 2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile is COc1ccc(Nc2c(C#N)cccc2OC)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile?
The InChIKey is XUZORSHQNZWSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-19-12-7-8-13(15(9-12)21-3)18-16-11(10-17)5-4-6-14(16)20-2/h4-9,18H,1-3H3.
What are the key properties of 2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile?
2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile has a molecular weight of 284.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-3-methoxybenzonitrile is sourced from PubChem (CID 155289999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).