2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile

C17H18N2 — CID 63512162

IUPAC2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile
SMILESCCN(c1ccc(C)cc1)c1cc(C)ccc1C#N
InChIInChI=1S/C17H18N2/c1-4-19(16-9-6-13(2)7-10-16)17-11-14(3)5-8-15(17)12-18/h5-11H,4H2,1-3H3
InChIKeyAWTKBMOCZFPXJO-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.33
Rot. Bonds3

About 2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile

2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile (PubChem CID 63512162) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile
PubChem CID63512162
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile
SMILESCCN(c1ccc(C)cc1)c1cc(C)ccc1C#N
InChIInChI=1S/C17H18N2/c1-4-19(16-9-6-13(2)7-10-16)17-11-14(3)5-8-15(17)12-18/h5-11H,4H2,1-3H3
InChIKeyAWTKBMOCZFPXJO-UHFFFAOYSA-N
XLogP4.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile
CID 63512322
2-amino-5-(N-ethyl-4-methylanilino)benzonitrile
CID 115499366
4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile
CID 63511993
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methylbenzonitrile
CID 62301790
2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile
CID 62303454
4-methyl-2-[methyl(pentan-2-yl)amino]benzonitrile
CID 62302957
2-amino-3-(N-ethyl-3-methylanilino)benzonitrile
CID 104716397
3-bromo-5-(N-ethyl-4-methylanilino)benzonitrile
CID 102816098
5-chloro-2-(N-ethylanilino)benzonitrile
CID 63509917
4-methyl-2-[methyl(2-methylbutyl)amino]benzonitrile
CID 62302619
4-methyl-2-(N,2,4-trimethylanilino)benzonitrile
CID 63511662
4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzonitrile
CID 62303808

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile?
The IUPAC name of 2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile (CID 63512162) is 2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile.
What is the SMILES notation for 2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile?
The canonical SMILES for 2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile is CCN(c1ccc(C)cc1)c1cc(C)ccc1C#N.
What is the InChIKey of 2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile?
The InChIKey is AWTKBMOCZFPXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-4-19(16-9-6-13(2)7-10-16)17-11-14(3)5-8-15(17)12-18/h5-11H,4H2,1-3H3.
What are the key properties of 2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile?
2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile has a molecular weight of 250.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile is sourced from PubChem (CID 63512162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).