3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile

C11H14FN3 — CID 102818911

IUPAC3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile
SMILESCCNCCNc1cc(F)cc(C#N)c1
InChIInChI=1S/C11H14FN3/c1-2-14-3-4-15-11-6-9(8-13)5-10(12)7-11/h5-7,14-15H,2-4H2,1H3
InChIKeyWSGYKFCLKVNOEH-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.72
Rot. Bonds5

About 3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile

3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile (PubChem CID 102818911) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile
PubChem CID102818911
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile
SMILESCCNCCNc1cc(F)cc(C#N)c1
InChIInChI=1S/C11H14FN3/c1-2-14-3-4-15-11-6-9(8-13)5-10(12)7-11/h5-7,14-15H,2-4H2,1H3
InChIKeyWSGYKFCLKVNOEH-UHFFFAOYSA-N
XLogP1.72
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-(3,3,3-trifluoropropylamino)benzonitrile
CID 70982475
3-fluoro-5-(pent-4-ynylamino)benzonitrile
CID 106222300
3-(2-ethoxypropylamino)-5-fluorobenzonitrile
CID 102817349
ethyl 4-(3-cyano-5-fluoroanilino)butanoate
CID 102816596
3-fluoro-5-[[2-methyl-3-(methylamino)propyl]amino]benzonitrile
CID 102819211
3-(2-cyclobutylethylamino)-5-fluorobenzonitrile
CID 102817361
3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile
CID 102815985
2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide
CID 102815411
3-fluoro-5-[(5-hydroxy-2,2-dimethylpentyl)amino]benzonitrile
CID 106148618
3-[2-(5-chlorothiophen-2-yl)ethylamino]-5-fluorobenzonitrile
CID 106034984
3-[2-(5-bromothiophen-2-yl)ethylamino]-5-fluorobenzonitrile
CID 114139098
3-[2-(cyclohexen-1-yl)ethylamino]-5-fluorobenzonitrile
CID 102815512

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile?
The IUPAC name of 3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile (CID 102818911) is 3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile.
What is the SMILES notation for 3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile?
The canonical SMILES for 3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile is CCNCCNc1cc(F)cc(C#N)c1.
What is the InChIKey of 3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile?
The InChIKey is WSGYKFCLKVNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-2-14-3-4-15-11-6-9(8-13)5-10(12)7-11/h5-7,14-15H,2-4H2,1H3.
What are the key properties of 3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile?
3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile has a molecular weight of 207.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethylamino]-5-fluorobenzonitrile is sourced from PubChem (CID 102818911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).