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

C17H26ClNO4 — CID 2993765

IUPAC2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride
SMILESCC1CN(CCOCCOc2ccccc2C=O)CC(C)O1.Cl
InChIInChI=1S/C17H25NO4.ClH/c1-14-11-18(12-15(2)22-14)7-8-20-9-10-21-17-6-4-3-5-16(17)13-19;/h3-6,13-15H,7-12H2,1-2H3;1H
InChIKeyGFGAYIIKQSNGBM-UHFFFAOYSA-N
MW343.85 g/mol
LogP2.43
Rot. Bonds8

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

2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride (PubChem CID 2993765) has the molecular formula C17H26ClNO4 and a molecular weight of 343.85 g/mol. Its IUPAC name is 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride.

Molecular Properties

Compound Name2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride
PubChem CID2993765
Molecular FormulaC17H26ClNO4
Molecular Weight343.85 g/mol
Exact Mass343.16
IUPAC Name2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride
SMILESCC1CN(CCOCCOc2ccccc2C=O)CC(C)O1.Cl
InChIInChI=1S/C17H25NO4.ClH/c1-14-11-18(12-15(2)22-14)7-8-20-9-10-21-17-6-4-3-5-16(17)13-19;/h3-6,13-15H,7-12H2,1-2H3;1H
InChIKeyGFGAYIIKQSNGBM-UHFFFAOYSA-N
XLogP2.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride
CID 2993790
(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
CID 7412761
1-[2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7380391
2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzonitrile
CID 7394111
2-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]ethoxy]benzaldehyde
CID 7394469
(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
2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 2995550
(2R,6R)-2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 7379931
(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine
CID 7379543
1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173
4-[2-[2-(4-chloro-2,3-dimethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 2934947

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride?
The IUPAC name of 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride (CID 2993765) is 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride.
What is the SMILES notation for 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride?
The canonical SMILES for 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride is CC1CN(CCOCCOc2ccccc2C=O)CC(C)O1.Cl.
What is the InChIKey of 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride?
The InChIKey is GFGAYIIKQSNGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4.ClH/c1-14-11-18(12-15(2)22-14)7-8-20-9-10-21-17-6-4-3-5-16(17)13-19;/h3-6,13-15H,7-12H2,1-2H3;1H.
What are the key properties of 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride?
2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride is sourced from PubChem (CID 2993765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).