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

C15H23Cl2NO3 — CID 16807392

IUPAC1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
SMILESCC1CN(CC(O)COc2ccccc2Cl)CC(C)O1.Cl
InChIInChI=1S/C15H22ClNO3.ClH/c1-11-7-17(8-12(2)20-11)9-13(18)10-19-15-6-4-3-5-14(15)16;/h3-6,11-13,18H,7-10H2,1-2H3;1H
InChIKeyGMZPYYMGYQVQON-UHFFFAOYSA-N
MW336.26 g/mol
LogP2.61
Rot. Bonds5

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

1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride (PubChem CID 16807392) has the molecular formula C15H23Cl2NO3 and a molecular weight of 336.26 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
PubChem CID16807392
Molecular FormulaC15H23Cl2NO3
Molecular Weight336.26 g/mol
Exact Mass335.11
IUPAC Name1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
SMILESCC1CN(CC(O)COc2ccccc2Cl)CC(C)O1.Cl
InChIInChI=1S/C15H22ClNO3.ClH/c1-11-7-17(8-12(2)20-11)9-13(18)10-19-15-6-4-3-5-14(15)16;/h3-6,11-13,18H,7-10H2,1-2H3;1H
InChIKeyGMZPYYMGYQVQON-UHFFFAOYSA-N
XLogP2.61
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
1-(2-chloro-4-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 110884437
(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7157659
1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43173893
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
1-[2-(aminomethyl)phenoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43253374
1-(2,6-dimethylmorpholin-4-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 16807205
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227
(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-nitrophenoxy)propan-2-ol
CID 92945969
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 723040
1-(2,6-dimethoxyphenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 3530693
1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride
CID 21236664

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride (CID 16807392) is 1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride is CC1CN(CC(O)COc2ccccc2Cl)CC(C)O1.Cl.
What is the InChIKey of 1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride?
The InChIKey is GMZPYYMGYQVQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3.ClH/c1-11-7-17(8-12(2)20-11)9-13(18)10-19-15-6-4-3-5-14(15)16;/h3-6,11-13,18H,7-10H2,1-2H3;1H.
What are the key properties of 1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride?
1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride has a molecular weight of 336.26 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 16807392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).