2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile

C16H15FN2O — CID 61221871

IUPAC2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
SMILESCN(CCOc1ccccc1C#N)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c1-19(15-8-6-14(17)7-9-15)10-11-20-16-5-3-2-4-13(16)12-18/h2-9H,10-11H2,1H3
InChIKeyDUAOCTVLQVSZMH-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile

2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile (PubChem CID 61221871) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
PubChem CID61221871
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
SMILESCN(CCOc1ccccc1C#N)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c1-19(15-8-6-14(17)7-9-15)10-11-20-16-5-3-2-4-13(16)12-18/h2-9H,10-11H2,1H3
InChIKeyDUAOCTVLQVSZMH-UHFFFAOYSA-N
XLogP3.21
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62434817
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile
CID 133294688
2-[(4-fluoro-N-methylanilino)methyl]benzonitrile
CID 60964779
2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288965
2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
CID 43289050
2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzonitrile
CID 63695573
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
CID 113233526
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 43564981
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[3-[cyclopropyl(methyl)amino]propoxy]benzonitrile
CID 43288957

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile (CID 61221871) is 2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile is CN(CCOc1ccccc1C#N)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile?
The InChIKey is DUAOCTVLQVSZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-19(15-8-6-14(17)7-9-15)10-11-20-16-5-3-2-4-13(16)12-18/h2-9H,10-11H2,1H3.
What are the key properties of 2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile?
2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile is sourced from PubChem (CID 61221871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).