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

C16H16N2O — CID 62870994

IUPAC2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile
SMILESCOc1ccc(Nc2cc(C)ccc2C#N)c(C)c1
InChIInChI=1S/C16H16N2O/c1-11-4-5-13(10-17)16(8-11)18-15-7-6-14(19-3)9-12(15)2/h4-9,18H,1-3H3
InChIKeyNDQSGIPXQZYMCX-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.93
Rot. Bonds3

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

2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile (PubChem CID 62870994) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile
PubChem CID62870994
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile
SMILESCOc1ccc(Nc2cc(C)ccc2C#N)c(C)c1
InChIInChI=1S/C16H16N2O/c1-11-4-5-13(10-17)16(8-11)18-15-7-6-14(19-3)9-12(15)2/h4-9,18H,1-3H3
InChIKeyNDQSGIPXQZYMCX-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)-3-methylbenzonitrile
CID 55129912
4-methyl-2-(2-methylanilino)benzonitrile
CID 62302441
2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile
CID 107927648
2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
CID 82016657
2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile
CID 63362795
2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile
CID 107606692
2-(3-fluoro-4-methylanilino)-4-methoxybenzonitrile
CID 81299578
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
2-(3,5-difluoroanilino)-4-methoxybenzonitrile
CID 81300164
4-(difluoromethoxy)-2-(4-fluoro-2-methylanilino)benzonitrile
CID 155452838
2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
CID 55056695
4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 81296556

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile?
The IUPAC name of 2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile (CID 62870994) is 2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile.
What is the SMILES notation for 2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile?
The canonical SMILES for 2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile is COc1ccc(Nc2cc(C)ccc2C#N)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile?
The InChIKey is NDQSGIPXQZYMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-4-5-13(10-17)16(8-11)18-15-7-6-14(19-3)9-12(15)2/h4-9,18H,1-3H3.
What are the key properties of 2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile?
2-(4-methoxy-2-methylanilino)-4-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 2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile is sourced from PubChem (CID 62870994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).