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

C14H18N2O2 — CID 43288608

IUPAC3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile
SMILESCC1CN(CCOc2cccc(C#N)c2)CCO1
InChIInChI=1S/C14H18N2O2/c1-12-11-16(5-7-17-12)6-8-18-14-4-2-3-13(9-14)10-15/h2-4,9,12H,5-8,11H2,1H3
InChIKeyINTJIHDSUWUMSE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.66
Rot. Bonds4

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

3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile (PubChem CID 43288608) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile
PubChem CID43288608
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile
SMILESCC1CN(CCOc2cccc(C#N)c2)CCO1
InChIInChI=1S/C14H18N2O2/c1-12-11-16(5-7-17-12)6-8-18-14-4-2-3-13(9-14)10-15/h2-4,9,12H,5-8,11H2,1H3
InChIKeyINTJIHDSUWUMSE-UHFFFAOYSA-N
XLogP1.66
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile
CID 92983510
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131
3-[2-(2-methylthiomorpholin-4-yl)ethoxy]benzonitrile
CID 115611866
3-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethoxy]benzonitrile
CID 79084884
3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
CID 43288798
3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]benzonitrile
CID 43544583
3-[2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 95285974
3-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethoxy]benzonitrile
CID 61356563
N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438935
3-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714071
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 43592078
3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]benzonitrile
CID 63164400

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile?
The IUPAC name of 3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile (CID 43288608) is 3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile?
The canonical SMILES for 3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile is CC1CN(CCOc2cccc(C#N)c2)CCO1.
What is the InChIKey of 3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile?
The InChIKey is INTJIHDSUWUMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-12-11-16(5-7-17-12)6-8-18-14-4-2-3-13(9-14)10-15/h2-4,9,12H,5-8,11H2,1H3.
What are the key properties of 3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile?
3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile is sourced from PubChem (CID 43288608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).