2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile

C15H20N2O2 — CID 43613135

IUPAC2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile
SMILESCCC1COCCN1CCOc1ccccc1C#N
InChIInChI=1S/C15H20N2O2/c1-2-14-12-18-9-7-17(14)8-10-19-15-6-4-3-5-13(15)11-16/h3-6,14H,2,7-10,12H2,1H3
InChIKeyQJFVNDLPMWEEOI-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.05
Rot. Bonds5

About 2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile

2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile (PubChem CID 43613135) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile
PubChem CID43613135
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile
SMILESCCC1COCCN1CCOc1ccccc1C#N
InChIInChI=1S/C15H20N2O2/c1-2-14-12-18-9-7-17(14)8-10-19-15-6-4-3-5-13(15)11-16/h3-6,14H,2,7-10,12H2,1H3
InChIKeyQJFVNDLPMWEEOI-UHFFFAOYSA-N
XLogP2.05
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile
CID 129483611
2-[4-[2-(3-ethylmorpholin-4-yl)ethoxy]phenyl]acetonitrile
CID 43613148
2-[2-[2-(hydroxymethyl)azepan-1-yl]ethoxy]benzonitrile
CID 116634750
2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide
CID 171785848
2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714068
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65344113
2-[3-(1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62989022
2-[3-(2-methylmorpholin-4-yl)propoxy]benzonitrile
CID 43288613
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]benzonitrile
CID 114593257
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62988696
2-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 93044931
2-[2-(3,4-dihydroxypyrrolidin-1-yl)ethoxy]benzonitrile
CID 106669436

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile (CID 43613135) is 2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile is CCC1COCCN1CCOc1ccccc1C#N.
What is the InChIKey of 2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile?
The InChIKey is QJFVNDLPMWEEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-14-12-18-9-7-17(14)8-10-19-15-6-4-3-5-13(15)11-16/h3-6,14H,2,7-10,12H2,1H3.
What are the key properties of 2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile?
2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile is sourced from PubChem (CID 43613135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).