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

C17H24N2O3 — CID 7394111

IUPAC2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile
SMILESC[C@H]1CN(CCOCCOc2ccccc2C#N)C[C@H](C)O1
InChIInChI=1S/C17H24N2O3/c1-14-12-19(13-15(2)22-14)7-8-20-9-10-21-17-6-4-3-5-16(17)11-18/h3-6,14-15H,7-10,12-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyJCQKHYUDESUQGK-GJZGRUSLSA-N
MW304.39 g/mol
LogP2.06
Rot. Bonds7

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

2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile (PubChem CID 7394111) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile
PubChem CID7394111
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile
SMILESC[C@H]1CN(CCOCCOc2ccccc2C#N)C[C@H](C)O1
InChIInChI=1S/C17H24N2O3/c1-14-12-19(13-15(2)22-14)7-8-20-9-10-21-17-6-4-3-5-16(17)11-18/h3-6,14-15H,7-10,12-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyJCQKHYUDESUQGK-GJZGRUSLSA-N
XLogP2.06
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.06
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

2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7379961
2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]benzonitrile
CID 2996447
(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
CID 7412761
2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride
CID 2993765
4-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzonitrile;hydrochloride
CID 2993844
2-[3-(2-methylmorpholin-4-yl)propoxy]benzonitrile
CID 43288613
1-[2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7380391
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62988696
2-[2-(3,4-dihydroxypyrrolidin-1-yl)ethoxy]benzonitrile
CID 106669436
(2R,6R)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394194
(2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394196
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzonitrile
CID 7393960

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile (CID 7394111) is 2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile is C[C@H]1CN(CCOCCOc2ccccc2C#N)C[C@H](C)O1.
What is the InChIKey of 2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile?
The InChIKey is JCQKHYUDESUQGK-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-14-12-19(13-15(2)22-14)7-8-20-9-10-21-17-6-4-3-5-16(17)11-18/h3-6,14-15H,7-10,12-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile?
2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile has a molecular weight of 304.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile is sourced from PubChem (CID 7394111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).