2-(5-chloro-2-methylanilino)-5-methylbenzonitrile

C15H13ClN2 — CID 114016776

IUPAC2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
SMILESCc1ccc(Nc2cc(Cl)ccc2C)c(C#N)c1
InChIInChI=1S/C15H13ClN2/c1-10-3-6-14(12(7-10)9-17)18-15-8-13(16)5-4-11(15)2/h3-8,18H,1-2H3
InChIKeyIAMMUWFCBBUNPM-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.57
Rot. Bonds2

About 2-(5-chloro-2-methylanilino)-5-methylbenzonitrile

2-(5-chloro-2-methylanilino)-5-methylbenzonitrile (PubChem CID 114016776) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
PubChem CID114016776
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
SMILESCc1ccc(Nc2cc(Cl)ccc2C)c(C#N)c1
InChIInChI=1S/C15H13ClN2/c1-10-3-6-14(12(7-10)9-17)18-15-8-13(16)5-4-11(15)2/h3-8,18H,1-2H3
InChIKeyIAMMUWFCBBUNPM-UHFFFAOYSA-N
XLogP4.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
2-(2,5-dimethylanilino)benzonitrile
CID 11746208
2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43153539
2-(4-bromo-5-fluoro-2-methylanilino)-5-methylbenzonitrile
CID 107927887
2-(3,4-dimethylanilino)-5-methylbenzonitrile
CID 107926959
2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
CID 107927006
2-(5-chloro-2-methylanilino)-3-methylbenzonitrile
CID 107106403
5-chloro-2-(3-fluoro-4-methylanilino)benzonitrile
CID 63512248
2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile
CID 82756889
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
CID 63516498

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-5-methylbenzonitrile?
The IUPAC name of 2-(5-chloro-2-methylanilino)-5-methylbenzonitrile (CID 114016776) is 2-(5-chloro-2-methylanilino)-5-methylbenzonitrile.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-5-methylbenzonitrile?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-5-methylbenzonitrile is Cc1ccc(Nc2cc(Cl)ccc2C)c(C#N)c1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-5-methylbenzonitrile?
The InChIKey is IAMMUWFCBBUNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-10-3-6-14(12(7-10)9-17)18-15-8-13(16)5-4-11(15)2/h3-8,18H,1-2H3.
What are the key properties of 2-(5-chloro-2-methylanilino)-5-methylbenzonitrile?
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile has a molecular weight of 256.74 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-5-methylbenzonitrile is sourced from PubChem (CID 114016776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).