1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C14H29NO3 — CID 111116624

IUPAC1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCC1CN(CC(O)COC(C)(C)C)CC(C)O1
InChIInChI=1S/C14H29NO3/c1-6-13-9-15(7-11(2)18-13)8-12(16)10-17-14(3,4)5/h11-13,16H,6-10H2,1-5H3
InChIKeyIPJYVVACBYXVPZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.66
Rot. Bonds5

About 1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 111116624) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID111116624
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCC1CN(CC(O)COC(C)(C)C)CC(C)O1
InChIInChI=1S/C14H29NO3/c1-6-13-9-15(7-11(2)18-13)8-12(16)10-17-14(3,4)5/h11-13,16H,6-10H2,1-5H3
InChIKeyIPJYVVACBYXVPZ-UHFFFAOYSA-N
XLogP1.66
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741516
1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 111113659
1-[(2-chlorophenyl)methoxy]-3-(2-ethyl-6-methylmorpholin-4-yl)propan-2-ol
CID 111116623
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-methylpent-4-yn-2-yloxy)propan-2-ol
CID 51680092
(2R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-methylpent-4-yn-2-yloxy)propan-2-ol
CID 100811217
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116658
2-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]ethanol
CID 125154641
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111442666
1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
1-(4-aminophenoxy)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
CID 102932193
1-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 48966438

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 111116624) is 1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CCC1CN(CC(O)COC(C)(C)C)CC(C)O1.
What is the InChIKey of 1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is IPJYVVACBYXVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-6-13-9-15(7-11(2)18-13)8-12(16)10-17-14(3,4)5/h11-13,16H,6-10H2,1-5H3.
What are the key properties of 1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylmorpholin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 111116624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).