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

C17H28ClNO3 — CID 2838824

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol;hydrochloride
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
InChIKeyBTQRDDXGGRJRCJ-UHFFFAOYSA-N
MW329.87 g/mol
LogP2.52
Rot. Bonds6

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

1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol;hydrochloride (PubChem CID 2838824) has the molecular formula C17H28ClNO3 and a molecular weight of 329.87 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol;hydrochloride
PubChem CID2838824
Molecular FormulaC17H28ClNO3
Molecular Weight329.87 g/mol
Exact Mass329.18
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol;hydrochloride
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
InChIKeyBTQRDDXGGRJRCJ-UHFFFAOYSA-N
XLogP2.52
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2405
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CID 2119
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CID 2369
Betaxolol Hydrochloride
CID 107952
Tesmilifene
CID 108092
Levobetaxolol
CID 60657
Alprenolol Hydrochloride
CID 66368
Alprenolol, (S)-
CID 204665
Stilonium Iodide
CID 6433339
1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol
CID 43216
O-Demethylmetoprolol
CID 162181

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol;hydrochloride (CID 2838824) is 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol;hydrochloride 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;hydrochloride?
The InChIKey is BTQRDDXGGRJRCJ-UHFFFAOYSA-N. 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.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol;hydrochloride?
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 2.52, 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;hydrochloride is sourced from PubChem (CID 2838824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).