2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane

C30H46N2O6 — CID 161363033

IUPAC2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane
SMILESCC1CN(CC(O)COc2ccccc2)CC(C)O1.CC1CNCC(C)O1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C15H23NO3.C9H10O2.C6H13NO/c1-12-8-16(9-13(2)19-12)10-14(17)11-18-15-6-4-3-5-7-15;1-2-4-8(5-3-1)10-6-9-7-11-9;1-5-3-7-4-6(2)8-5/h3-7,12-14,17H,8-11H2,1-2H3;1-5,9H,6-7H2;5-7H,3-4H2,1-2H3
InChIKeyVPLAYZWYRATPDC-UHFFFAOYSA-N
MW530.71 g/mol
LogP3.38
Rot. Bonds8

About 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane

2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane (PubChem CID 161363033) has the molecular formula C30H46N2O6 and a molecular weight of 530.71 g/mol. Its IUPAC name is 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane.

Molecular Properties

Compound Name2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane
PubChem CID161363033
Molecular FormulaC30H46N2O6
Molecular Weight530.71 g/mol
Exact Mass530.34
IUPAC Name2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane
SMILESCC1CN(CC(O)COc2ccccc2)CC(C)O1.CC1CNCC(C)O1.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C15H23NO3.C9H10O2.C6H13NO/c1-12-8-16(9-13(2)19-12)10-14(17)11-18-15-6-4-3-5-7-15;1-2-4-8(5-3-1)10-6-9-7-11-9;1-5-3-7-4-6(2)8-5/h3-7,12-14,17H,8-11H2,1-2H3;1-5,9H,6-7H2;5-7H,3-4H2,1-2H3
InChIKeyVPLAYZWYRATPDC-UHFFFAOYSA-N
XLogP3.38
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.71
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane with MolForge

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Launch Full Analysis

Related Compounds

(2R,6R)-2-methyl-6-(phenoxymethyl)morpholine
CID 95439704
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
1-(2,6-dimethylmorpholin-4-yl)-3-(3-fluorophenoxy)propan-2-ol
CID 59563430
1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43173893
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
1-(2,6-dimethylmorpholin-4-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237688
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 7428342
1-(2,6-dimethylmorpholin-4-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 16807205
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[4-[4-[(2R)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]propan-2-ol
CID 124765058
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
CID 16807392
cyclohexanol;1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;2-(cyclohexyloxymethyl)oxirane;2,6-dimethylmorpholine
CID 159039595

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane?
The IUPAC name of 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane (CID 161363033) is 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane.
What is the SMILES notation for 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane?
The canonical SMILES for 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane is CC1CN(CC(O)COc2ccccc2)CC(C)O1.CC1CNCC(C)O1.c1ccc(OCC2CO2)cc1.
What is the InChIKey of 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane?
The InChIKey is VPLAYZWYRATPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.C9H10O2.C6H13NO/c1-12-8-16(9-13(2)19-12)10-14(17)11-18-15-6-4-3-5-7-15;1-2-4-8(5-3-1)10-6-9-7-11-9;1-5-3-7-4-6(2)8-5/h3-7,12-14,17H,8-11H2,1-2H3;1-5,9H,6-7H2;5-7H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane?
2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane has a molecular weight of 530.71 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-phenoxypropan-2-ol;2-(phenoxymethyl)oxirane is sourced from PubChem (CID 161363033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).