1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride

C17H27ClNO3- — CID 21237837

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride
SMILESCc1cc(C)cc(OCC(O)CN2CC(C)OC(C)C2)c1.[Cl-]
InChIInChI=1S/C17H27NO3.ClH/c1-12-5-13(2)7-17(6-12)20-11-16(19)10-18-8-14(3)21-15(4)9-18;/h5-7,14-16,19H,8-11H2,1-4H3;1H/p-1
InChIKeyBJVCHEMWUMOZEC-UHFFFAOYSA-M
MW328.86 g/mol
LogP-0.84
Rot. Bonds5

About 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride

1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride (PubChem CID 21237837) 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-(3,5-dimethylphenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride
PubChem CID21237837
Molecular FormulaC17H27ClNO3-
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride
SMILESCc1cc(C)cc(OCC(O)CN2CC(C)OC(C)C2)c1.[Cl-]
InChIInChI=1S/C17H27NO3.ClH/c1-12-5-13(2)7-17(6-12)20-11-16(19)10-18-8-14(3)21-15(4)9-18;/h5-7,14-16,19H,8-11H2,1-4H3;1H/p-1
InChIKeyBJVCHEMWUMOZEC-UHFFFAOYSA-M
XLogP-0.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 1351789
(2S)-1-(3,5-dimethylphenoxy)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 93325171
1-(2,6-dimethylmorpholin-4-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237688
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
1-(2,6-dimethylmorpholin-4-yl)-3-(3-fluorophenoxy)propan-2-ol
CID 59563430
1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
CID 53313566
1-(3,5-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3386373
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 878803
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 7428342
(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
1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 59563422
(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 6937831

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride (CID 21237837) is 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride is Cc1cc(C)cc(OCC(O)CN2CC(C)OC(C)C2)c1.[Cl-].
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride?
The InChIKey is BJVCHEMWUMOZEC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H27NO3.ClH/c1-12-5-13(2)7-17(6-12)20-11-16(19)10-18-8-14(3)21-15(4)9-18;/h5-7,14-16,19H,8-11H2,1-4H3;1H/p-1.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride?
1-(2,6-dimethylmorpholin-4-yl)-3-(3,5-dimethylphenoxy)propan-2-ol chloride has a molecular weight of 328.86 g/mol, XLogP of -0.84, 5 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-(3,5-dimethylphenoxy)propan-2-ol chloride is sourced from PubChem (CID 21237837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).