4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile

C16H22N2O2 — CID 60696551

IUPAC4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile
SMILESCCC1COC(C)CN1CCOc1ccc(C#N)cc1
InChIInChI=1S/C16H22N2O2/c1-3-15-12-20-13(2)11-18(15)8-9-19-16-6-4-14(10-17)5-7-16/h4-7,13,15H,3,8-9,11-12H2,1-2H3
InChIKeyPRJZVDOKGWEMMJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.44
Rot. Bonds5

About 4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile

4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile (PubChem CID 60696551) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile
PubChem CID60696551
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile
SMILESCCC1COC(C)CN1CCOc1ccc(C#N)cc1
InChIInChI=1S/C16H22N2O2/c1-3-15-12-20-13(2)11-18(15)8-9-19-16-6-4-14(10-17)5-7-16/h4-7,13,15H,3,8-9,11-12H2,1-2H3
InChIKeyPRJZVDOKGWEMMJ-UHFFFAOYSA-N
XLogP2.44
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile
CID 60690951
4-[3-(5-ethyl-2-methylmorpholin-4-yl)propoxy]aniline
CID 43575089
4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile
CID 92983510
4-[2-(2-ethylazepan-1-yl)ethoxy]benzonitrile
CID 115642546
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226
4-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzonitrile
CID 63610370
3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]benzonitrile
CID 43544583
2-[4-[2-(3-ethylmorpholin-4-yl)ethoxy]phenyl]acetonitrile
CID 43613148
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile
CID 63719120
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82974433
3-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)benzonitrile
CID 82797068
3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 60692406

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile?
The IUPAC name of 4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile (CID 60696551) is 4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile is CCC1COC(C)CN1CCOc1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile?
The InChIKey is PRJZVDOKGWEMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-15-12-20-13(2)11-18(15)8-9-19-16-6-4-14(10-17)5-7-16/h4-7,13,15H,3,8-9,11-12H2,1-2H3.
What are the key properties of 4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile?
4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile has a molecular weight of 274.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile is sourced from PubChem (CID 60696551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).