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

C17H17FN2O — CID 43285237

IUPAC2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile
SMILESCCNC(C)c1cc(F)ccc1Oc1ccccc1C#N
InChIInChI=1S/C17H17FN2O/c1-3-20-12(2)15-10-14(18)8-9-17(15)21-16-7-5-4-6-13(16)11-19/h4-10,12,20H,3H2,1-2H3
InChIKeyKZIIZMWMZPDMND-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.16
Rot. Bonds5

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

2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile (PubChem CID 43285237) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile
PubChem CID43285237
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile
SMILESCCNC(C)c1cc(F)ccc1Oc1ccccc1C#N
InChIInChI=1S/C17H17FN2O/c1-3-20-12(2)15-10-14(18)8-9-17(15)21-16-7-5-4-6-13(16)11-19/h4-10,12,20H,3H2,1-2H3
InChIKeyKZIIZMWMZPDMND-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

2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]benzonitrile
CID 82955859
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
CID 63532134
1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
CID 43285318
1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
CID 82953582
4-fluoro-2-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]benzonitrile
CID 107904601
N-ethyl-1-[5-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63934918
4-fluoro-2-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]benzonitrile
CID 107904599
N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801803
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 43285833
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
2-(2-cyanophenoxy)benzonitrile
CID 13435570

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile?
The IUPAC name of 2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile (CID 43285237) is 2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile.
What is the SMILES notation for 2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile?
The canonical SMILES for 2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile is CCNC(C)c1cc(F)ccc1Oc1ccccc1C#N.
What is the InChIKey of 2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile?
The InChIKey is KZIIZMWMZPDMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-3-20-12(2)15-10-14(18)8-9-17(15)21-16-7-5-4-6-13(16)11-19/h4-10,12,20H,3H2,1-2H3.
What are the key properties of 2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile?
2-[2-[1-(ethylamino)ethyl]-4-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 2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile is sourced from PubChem (CID 43285237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).