3-(2,6-diethylanilino)-5-fluorobenzonitrile

C17H17FN2 — CID 102814879

IUPAC3-(2,6-diethylanilino)-5-fluorobenzonitrile
SMILESCCc1cccc(CC)c1Nc1cc(F)cc(C#N)c1
InChIInChI=1S/C17H17FN2/c1-3-13-6-5-7-14(4-2)17(13)20-16-9-12(11-19)8-15(18)10-16/h5-10,20H,3-4H2,1-2H3
InChIKeySJDCKFGLBDGHCK-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.57
Rot. Bonds4

About 3-(2,6-diethylanilino)-5-fluorobenzonitrile

3-(2,6-diethylanilino)-5-fluorobenzonitrile (PubChem CID 102814879) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-(2,6-diethylanilino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(2,6-diethylanilino)-5-fluorobenzonitrile
PubChem CID102814879
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name3-(2,6-diethylanilino)-5-fluorobenzonitrile
SMILESCCc1cccc(CC)c1Nc1cc(F)cc(C#N)c1
InChIInChI=1S/C17H17FN2/c1-3-13-6-5-7-14(4-2)17(13)20-16-9-12(11-19)8-15(18)10-16/h5-10,20H,3-4H2,1-2H3
InChIKeySJDCKFGLBDGHCK-UHFFFAOYSA-N
XLogP4.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-ethylanilino)-5-fluorobenzonitrile
CID 102816970
3-fluoro-5-(2-methylsulfanylanilino)benzonitrile
CID 107644883
3-(4-chloroanilino)-5-fluorobenzonitrile
CID 102815066
2,6-diethyl-N-phenylaniline
CID 45095580
3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile
CID 102815682
3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile
CID 102818911
3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile
CID 102816923
2,6-diethyl-N-(3-ethylphenyl)aniline
CID 139833761
3-fluoro-5-(2,3,5-trifluoroanilino)benzonitrile
CID 102816232
3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-5-fluorobenzonitrile
CID 82738847
N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide
CID 108968587
2-bromo-4-(2,6-diethylanilino)-3-fluorobenzonitrile
CID 107533023

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylanilino)-5-fluorobenzonitrile?
The IUPAC name of 3-(2,6-diethylanilino)-5-fluorobenzonitrile (CID 102814879) is 3-(2,6-diethylanilino)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(2,6-diethylanilino)-5-fluorobenzonitrile?
The canonical SMILES for 3-(2,6-diethylanilino)-5-fluorobenzonitrile is CCc1cccc(CC)c1Nc1cc(F)cc(C#N)c1.
What is the InChIKey of 3-(2,6-diethylanilino)-5-fluorobenzonitrile?
The InChIKey is SJDCKFGLBDGHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-3-13-6-5-7-14(4-2)17(13)20-16-9-12(11-19)8-15(18)10-16/h5-10,20H,3-4H2,1-2H3.
What are the key properties of 3-(2,6-diethylanilino)-5-fluorobenzonitrile?
3-(2,6-diethylanilino)-5-fluorobenzonitrile has a molecular weight of 268.34 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylanilino)-5-fluorobenzonitrile is sourced from PubChem (CID 102814879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).