1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride

C17H27ClNO3- — CID 21237651

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
SMILESCCc1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1.[Cl-]
InChIInChI=1S/C17H27NO3.ClH/c1-4-15-5-7-17(8-6-15)20-12-16(19)11-18-9-13(2)21-14(3)10-18;/h5-8,13-14,16,19H,4,9-12H2,1-3H3;1H/p-1
InChIKeyBTQRDDXGGRJRCJ-UHFFFAOYSA-M
MW328.86 g/mol
LogP-0.90
Rot. Bonds6

About 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride

1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride (PubChem CID 21237651) has the molecular formula C17H27ClNO3- and a molecular weight of 328.86 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
PubChem CID21237651
Molecular FormulaC17H27ClNO3-
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
SMILESCCc1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1.[Cl-]
InChIInChI=1S/C17H27NO3.ClH/c1-4-15-5-7-17(8-6-15)20-12-16(19)11-18-9-13(2)21-14(3)10-18;/h5-8,13-14,16,19H,4,9-12H2,1-3H3;1H/p-1
InChIKeyBTQRDDXGGRJRCJ-UHFFFAOYSA-M
XLogP-0.90
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237688
1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
CID 53313566
methyl 4-[(2R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 42559903
methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 98242648
(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-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 6559963
(2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7064341
1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride
CID 21237837
1-(4-aminophenoxy)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
CID 102932193
1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 111113659
1-(2,6-dimethylmorpholin-4-yl)-3-(3-fluorophenoxy)propan-2-ol
CID 59563430
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 878803

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride (CID 21237651) is 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride is CCc1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1.[Cl-].
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride?
The InChIKey is BTQRDDXGGRJRCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H27NO3.ClH/c1-4-15-5-7-17(8-6-15)20-12-16(19)11-18-9-13(2)21-14(3)10-18;/h5-8,13-14,16,19H,4,9-12H2,1-3H3;1H/p-1.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride?
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride has a molecular weight of 328.86 g/mol, XLogP of -0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride is sourced from PubChem (CID 21237651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).