4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile

C17H17FN2O — CID 43285566

IUPAC4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile
SMILESCCNC(C)c1ccc(Oc2ccc(C#N)cc2)c(F)c1
InChIInChI=1S/C17H17FN2O/c1-3-20-12(2)14-6-9-17(16(18)10-14)21-15-7-4-13(11-19)5-8-15/h4-10,12,20H,3H2,1-2H3
InChIKeyWYRKGSRZPBKAEA-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.16
Rot. Bonds5

About 4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile

4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile (PubChem CID 43285566) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile.

Molecular Properties

Compound Name4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile
PubChem CID43285566
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile
SMILESCCNC(C)c1ccc(Oc2ccc(C#N)cc2)c(F)c1
InChIInChI=1S/C17H17FN2O/c1-3-20-12(2)14-6-9-17(16(18)10-14)21-15-7-4-13(11-19)5-8-15/h4-10,12,20H,3H2,1-2H3
InChIKeyWYRKGSRZPBKAEA-UHFFFAOYSA-N
XLogP4.16
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941631
3-fluoro-4-[4-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666062
N-[1-[3-fluoro-4-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285920
N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine
CID 43285513
1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
CID 63534051
1-[3-(4-bromo-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 79167955
N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081
2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
CID 43284900
3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol
CID 113389475
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227
4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 28876598
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile?
The IUPAC name of 4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile (CID 43285566) is 4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile.
What is the SMILES notation for 4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile?
The canonical SMILES for 4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile is CCNC(C)c1ccc(Oc2ccc(C#N)cc2)c(F)c1.
What is the InChIKey of 4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile?
The InChIKey is WYRKGSRZPBKAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-3-20-12(2)14-6-9-17(16(18)10-14)21-15-7-4-13(11-19)5-8-15/h4-10,12,20H,3H2,1-2H3.
What are the key properties of 4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile?
4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile has a molecular weight of 284.33 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile is sourced from PubChem (CID 43285566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).