5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile

C16H15ClN2 — CID 63512322

IUPAC5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile
SMILESCCN(c1ccc(C)cc1)c1ccc(Cl)cc1C#N
InChIInChI=1S/C16H15ClN2/c1-3-19(15-7-4-12(2)5-8-15)16-9-6-14(17)10-13(16)11-18/h4-10H,3H2,1-2H3
InChIKeySNBVJOCDXNZABQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.68
Rot. Bonds3

About 5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile

5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile (PubChem CID 63512322) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile
PubChem CID63512322
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile
SMILESCCN(c1ccc(C)cc1)c1ccc(Cl)cc1C#N
InChIInChI=1S/C16H15ClN2/c1-3-19(15-7-4-12(2)5-8-15)16-9-6-14(17)10-13(16)11-18/h4-10H,3H2,1-2H3
InChIKeySNBVJOCDXNZABQ-UHFFFAOYSA-N
XLogP4.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(N-ethylanilino)benzonitrile
CID 63509917
2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile
CID 63512162
5-chloro-2-(N,4-dimethylanilino)benzonitrile
CID 63511822
[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol
CID 114845519
4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile
CID 63511993
5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 114850462
5-chloro-2-[ethyl(propyl)amino]benzonitrile
CID 62494074
2-amino-5-(N-ethyl-4-methylanilino)benzonitrile
CID 115499366
5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile
CID 62494913
5-chloro-2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 63693164
2-(N-ethylanilino)-5-formylbenzonitrile
CID 114063228
5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile
CID 13079832

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile?
The IUPAC name of 5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile (CID 63512322) is 5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile.
What is the SMILES notation for 5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile?
The canonical SMILES for 5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile is CCN(c1ccc(C)cc1)c1ccc(Cl)cc1C#N.
What is the InChIKey of 5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile?
The InChIKey is SNBVJOCDXNZABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-3-19(15-7-4-12(2)5-8-15)16-9-6-14(17)10-13(16)11-18/h4-10H,3H2,1-2H3.
What are the key properties of 5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile?
5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile has a molecular weight of 270.76 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile is sourced from PubChem (CID 63512322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).