4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile

C17H16F2N2 — CID 78988390

IUPAC4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile
SMILESCCc1ccc(C(C)Nc2c(F)cc(C#N)cc2F)cc1
InChIInChI=1S/C17H16F2N2/c1-3-12-4-6-14(7-5-12)11(2)21-17-15(18)8-13(10-20)9-16(17)19/h4-9,11,21H,3H2,1-2H3
InChIKeyZIKKTLFBYBVKCI-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.57
Rot. Bonds4

About 4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile

4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile (PubChem CID 78988390) has the molecular formula C17H16F2N2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile
PubChem CID78988390
Molecular FormulaC17H16F2N2
Molecular Weight286.32 g/mol
Exact Mass286.13
IUPAC Name4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile
SMILESCCc1ccc(C(C)Nc2c(F)cc(C#N)cc2F)cc1
InChIInChI=1S/C17H16F2N2/c1-3-12-4-6-14(7-5-12)11(2)21-17-15(18)8-13(10-20)9-16(17)19/h4-9,11,21H,3H2,1-2H3
InChIKeyZIKKTLFBYBVKCI-UHFFFAOYSA-N
XLogP4.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]benzonitrile
CID 94814048
4-[1-(3-chlorophenyl)ethylamino]-3,5-difluorobenzonitrile
CID 78988350
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
4-[1-(2,6-difluoro-3-methylanilino)ethyl]benzonitrile
CID 82818775
4-[1-(5-chlorothiophen-2-yl)ethylamino]-3,5-difluorobenzonitrile
CID 78988488
3,5-difluoro-4-[(4-hydroxy-3-methylbutan-2-yl)amino]benzonitrile
CID 113240534
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43721502
4-(but-3-en-2-ylamino)-3,5-difluorobenzonitrile
CID 115692016
N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
CID 79054943
4-[1-[(3,4-difluorophenyl)methylamino]ethyl]benzonitrile
CID 43433850
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675669

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile?
The IUPAC name of 4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile (CID 78988390) is 4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile?
The canonical SMILES for 4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile is CCc1ccc(C(C)Nc2c(F)cc(C#N)cc2F)cc1.
What is the InChIKey of 4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile?
The InChIKey is ZIKKTLFBYBVKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2/c1-3-12-4-6-14(7-5-12)11(2)21-17-15(18)8-13(10-20)9-16(17)19/h4-9,11,21H,3H2,1-2H3.
What are the key properties of 4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile?
4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile has a molecular weight of 286.32 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 4-[1-(4-ethylphenyl)ethylamino]-3,5-difluorobenzonitrile is sourced from PubChem (CID 78988390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).