1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride

C16H26ClNO4 — CID 2839486

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
SMILESCOc1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1.Cl
InChIInChI=1S/C16H25NO4.ClH/c1-12-8-17(9-13(2)21-12)10-14(18)11-20-16-6-4-15(19-3)5-7-16;/h4-7,12-14,18H,8-11H2,1-3H3;1H
InChIKeyGDELMBQBDNIMJJ-UHFFFAOYSA-N
MW331.84 g/mol
LogP1.97
Rot. Bonds6

About 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride

1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride (PubChem CID 2839486) has the molecular formula C16H26ClNO4 and a molecular weight of 331.84 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
PubChem CID2839486
Molecular FormulaC16H26ClNO4
Molecular Weight331.84 g/mol
Exact Mass331.16
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
SMILESCOc1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1.Cl
InChIInChI=1S/C16H25NO4.ClH/c1-12-8-17(9-13(2)21-12)10-14(18)11-20-16-6-4-15(19-3)5-7-16;/h4-7,12-14,18H,8-11H2,1-3H3;1H
InChIKeyGDELMBQBDNIMJJ-UHFFFAOYSA-N
XLogP1.97
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride (CID 2839486) is 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride is COc1ccc(OCC(O)CN2CC(C)OC(C)C2)cc1.Cl.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride?
The InChIKey is GDELMBQBDNIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4.ClH/c1-12-8-17(9-13(2)21-12)10-14(18)11-20-16-6-4-15(19-3)5-7-16;/h4-7,12-14,18H,8-11H2,1-3H3;1H.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride?
1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 2839486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).