4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride

C17H25ClN2O3 — CID 2993844

IUPAC4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride
SMILESCC1CN(CCOCCOc2ccc(C#N)cc2)CC(C)O1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-14-12-19(13-15(2)22-14)7-8-20-9-10-21-17-5-3-16(11-18)4-6-17;/h3-6,14-15H,7-10,12-13H2,1-2H3;1H
InChIKeyIRWRDILYTUUDGG-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.48
Rot. Bonds7

About 4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride

4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride (PubChem CID 2993844) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride
PubChem CID2993844
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride
SMILESCC1CN(CCOCCOc2ccc(C#N)cc2)CC(C)O1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-14-12-19(13-15(2)22-14)7-8-20-9-10-21-17-5-3-16(11-18)4-6-17;/h3-6,14-15H,7-10,12-13H2,1-2H3;1H
InChIKeyIRWRDILYTUUDGG-UHFFFAOYSA-N
XLogP2.48
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226
2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile
CID 7394111
methyl 4-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzoate
CID 7412586
(2R,6R)-4-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 7379777
4-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]ethoxy]benzonitrile
CID 7394525
4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile
CID 92983510
4-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]ethoxy]benzonitrile
CID 7394522
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7379667
(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182517
2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
CID 71941842
1-[2-(4-cyanophenoxy)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720877

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride?
The IUPAC name of 4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride (CID 2993844) is 4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride.
What is the SMILES notation for 4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride?
The canonical SMILES for 4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride is CC1CN(CCOCCOc2ccc(C#N)cc2)CC(C)O1.Cl.
What is the InChIKey of 4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride?
The InChIKey is IRWRDILYTUUDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-14-12-19(13-15(2)22-14)7-8-20-9-10-21-17-5-3-16(11-18)4-6-17;/h3-6,14-15H,7-10,12-13H2,1-2H3;1H.
What are the key properties of 4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride?
4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride is sourced from PubChem (CID 2993844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).