3-(4-ethyl-N-methylanilino)benzonitrile

C16H16N2 — CID 102816090

IUPAC3-(4-ethyl-N-methylanilino)benzonitrile
SMILESCCc1ccc(N(C)c2cccc(C#N)c2)cc1
InChIInChI=1S/C16H16N2/c1-3-13-7-9-15(10-8-13)18(2)16-6-4-5-14(11-16)12-17/h4-11H,3H2,1-2H3
InChIKeyCKCWYBVWDCRICQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.89
Rot. Bonds3

About 3-(4-ethyl-N-methylanilino)benzonitrile

3-(4-ethyl-N-methylanilino)benzonitrile (PubChem CID 102816090) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(4-ethyl-N-methylanilino)benzonitrile.

Molecular Properties

Compound Name3-(4-ethyl-N-methylanilino)benzonitrile
PubChem CID102816090
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-(4-ethyl-N-methylanilino)benzonitrile
SMILESCCc1ccc(N(C)c2cccc(C#N)c2)cc1
InChIInChI=1S/C16H16N2/c1-3-13-7-9-15(10-8-13)18(2)16-6-4-5-14(11-16)12-17/h4-11H,3H2,1-2H3
InChIKeyCKCWYBVWDCRICQ-UHFFFAOYSA-N
XLogP3.89
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile
CID 62982382
3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-[N-methyl-4-(N-(4-methylphenyl)anilino)anilino]benzonitrile;4-[N-methyl-4-(N-(4-methylphenyl)anilino)anilino]benzonitrile;1-N-methyl-4-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158097800
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N,3-diphenylaniline;3-[N-methyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 158146375
3-[N-methyl-4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 59431954
3-[N-methyl-4-(N-(3-phenylphenyl)anilino)anilino]benzonitrile;4-[N-methyl-4-(N-(3-phenylphenyl)anilino)anilino]benzonitrile
CID 158019618
3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028941
5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
CID 115487644
3-[methyl(methylsulfanyl)amino]benzonitrile
CID 146320456
3-[[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-methylamino]benzonitrile
CID 103938718
3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]benzonitrile
CID 62982617

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-N-methylanilino)benzonitrile?
The IUPAC name of 3-(4-ethyl-N-methylanilino)benzonitrile (CID 102816090) is 3-(4-ethyl-N-methylanilino)benzonitrile.
What is the SMILES notation for 3-(4-ethyl-N-methylanilino)benzonitrile?
The canonical SMILES for 3-(4-ethyl-N-methylanilino)benzonitrile is CCc1ccc(N(C)c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-(4-ethyl-N-methylanilino)benzonitrile?
The InChIKey is CKCWYBVWDCRICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-3-13-7-9-15(10-8-13)18(2)16-6-4-5-14(11-16)12-17/h4-11H,3H2,1-2H3.
What are the key properties of 3-(4-ethyl-N-methylanilino)benzonitrile?
3-(4-ethyl-N-methylanilino)benzonitrile has a molecular weight of 236.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-N-methylanilino)benzonitrile is sourced from PubChem (CID 102816090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).