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

C19H32ClNO3 — CID 138959682

IUPAC1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(OCC(O)CN2CCOCC2(C)C)ccc1C(C)C.Cl
InChIInChI=1S/C19H31NO3.ClH/c1-14(2)18-7-6-17(10-15(18)3)23-12-16(21)11-20-8-9-22-13-19(20,4)5;/h6-7,10,14,16,21H,8-9,11-13H2,1-5H3;1H
InChIKeyCGXKKAZCAFGSNL-UHFFFAOYSA-N
MW357.92 g/mol
LogP3.39
Rot. Bonds6

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

1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride (PubChem CID 138959682) has the molecular formula C19H32ClNO3 and a molecular weight of 357.92 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
PubChem CID138959682
Molecular FormulaC19H32ClNO3
Molecular Weight357.92 g/mol
Exact Mass357.21
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(OCC(O)CN2CCOCC2(C)C)ccc1C(C)C.Cl
InChIInChI=1S/C19H31NO3.ClH/c1-14(2)18-7-6-17(10-15(18)3)23-12-16(21)11-20-8-9-22-13-19(20,4)5;/h6-7,10,14,16,21H,8-9,11-13H2,1-5H3;1H
InChIKeyCGXKKAZCAFGSNL-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

Analyze 1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride with MolForge

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Related Compounds

1-[4-[3-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 47527320
1-(azepan-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 2853018
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 782845
1-[2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione
CID 132585786
1-(4-benzhydrylpiperazin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol dichloride
CID 21237413
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 6544613
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 42443332
(2S)-1-amino-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 9159080
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
1-(3,3-dimethylmorpholin-4-yl)-3-ethoxypropan-2-ol
CID 63932943
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237412

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride (CID 138959682) is 1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride is Cc1cc(OCC(O)CN2CCOCC2(C)C)ccc1C(C)C.Cl.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is CGXKKAZCAFGSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3.ClH/c1-14(2)18-7-6-17(10-15(18)3)23-12-16(21)11-20-8-9-22-13-19(20,4)5;/h6-7,10,14,16,21H,8-9,11-13H2,1-5H3;1H.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
1-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-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-(3,3-dimethylmorpholin-4-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 138959682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).