2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine

C17H25NO3 — CID 2995550

IUPAC2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
SMILESC=CCOc1ccccc1OCCN1CC(C)OC(C)C1
InChIInChI=1S/C17H25NO3/c1-4-10-19-16-7-5-6-8-17(16)20-11-9-18-12-14(2)21-15(3)13-18/h4-8,14-15H,1,9-13H2,2-3H3
InChIKeyDAEXNWCCHFXITC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.74
Rot. Bonds7

About 2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine

2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine (PubChem CID 2995550) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
PubChem CID2995550
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
SMILESC=CCOc1ccccc1OCCN1CC(C)OC(C)C1
InChIInChI=1S/C17H25NO3/c1-4-10-19-16-7-5-6-8-17(16)20-11-9-18-12-14(2)21-15(3)13-18/h4-8,14-15H,1,9-13H2,2-3H3
InChIKeyDAEXNWCCHFXITC-UHFFFAOYSA-N
XLogP2.74
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
(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
(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888280
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
2-[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride
CID 2993765
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
CID 7412761
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
1-[[2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385842

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine (CID 2995550) is 2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine is C=CCOc1ccccc1OCCN1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine?
The InChIKey is DAEXNWCCHFXITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-10-19-16-7-5-6-8-17(16)20-11-9-18-12-14(2)21-15(3)13-18/h4-8,14-15H,1,9-13H2,2-3H3.
What are the key properties of 2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine?
2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine has a molecular weight of 291.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine is sourced from PubChem (CID 2995550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).