1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride

C19H32ClNO3 — CID 2850579

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
SMILESCc1ccc(C(C)C)c(OCC(O)CN2CC(C)OC(C)C2)c1.Cl
InChIInChI=1S/C19H31NO3.ClH/c1-13(2)18-7-6-14(3)8-19(18)22-12-17(21)11-20-9-15(4)23-16(5)10-20;/h6-8,13,15-17,21H,9-12H2,1-5H3;1H
InChIKeyIDNQRRGXBWADHW-UHFFFAOYSA-N
MW357.92 g/mol
LogP3.39
Rot. Bonds6

About 1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride

1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride (PubChem CID 2850579) has the molecular formula C19H32ClNO3 and a molecular weight of 357.92 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
PubChem CID2850579
Molecular FormulaC19H32ClNO3
Molecular Weight357.92 g/mol
Exact Mass357.21
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
SMILESCc1ccc(C(C)C)c(OCC(O)CN2CC(C)OC(C)C2)c1.Cl
InChIInChI=1S/C19H31NO3.ClH/c1-13(2)18-7-6-14(3)8-19(18)22-12-17(21)11-20-9-15(4)23-16(5)10-20;/h6-8,13,15-17,21H,9-12H2,1-5H3;1H
InChIKeyIDNQRRGXBWADHW-UHFFFAOYSA-N
XLogP3.39
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.92
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride (CID 2850579) is 1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride is Cc1ccc(C(C)C)c(OCC(O)CN2CC(C)OC(C)C2)c1.Cl.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is IDNQRRGXBWADHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3.ClH/c1-13(2)18-7-6-14(3)8-19(18)22-12-17(21)11-20-9-15(4)23-16(5)10-20;/h6-8,13,15-17,21H,9-12H2,1-5H3;1H.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
1-(2,6-dimethylmorpholin-4-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 357.92 g/mol, XLogP of 3.39, 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-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 2850579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).