1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride

C16H26ClNO3 — CID 11971912

IUPAC1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(C)c(OCC(O)CN2CCOCC2)c(C)c1.Cl
InChIInChI=1S/C16H25NO3.ClH/c1-12-8-13(2)16(14(3)9-12)20-11-15(18)10-17-4-6-19-7-5-17;/h8-9,15,18H,4-7,10-11H2,1-3H3;1H
InChIKeyPJMUIGHTRMKUGX-UHFFFAOYSA-N
MW315.84 g/mol
LogP2.11
Rot. Bonds5

About 1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride

1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride (PubChem CID 11971912) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
PubChem CID11971912
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(C)c(OCC(O)CN2CCOCC2)c(C)c1.Cl
InChIInChI=1S/C16H25NO3.ClH/c1-12-8-13(2)16(14(3)9-12)20-11-15(18)10-17-4-6-19-7-5-17;/h8-9,15,18H,4-7,10-11H2,1-3H3;1H
InChIKeyPJMUIGHTRMKUGX-UHFFFAOYSA-N
XLogP2.11
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol
CID 660609
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
1-(4-benzylpiperazin-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol dichloride
CID 21237751
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 2133676
1-(3,5-dimethylpiperidin-1-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 3415680
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
3-(2-hydroxy-3-morpholin-4-ylpropoxy)-2,6-dimethyl-1H-pyridin-4-one
CID 139633094
(2R)-1-(3-fluoro-4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 99838743
1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 1039041

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride (CID 11971912) is 1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride is Cc1cc(C)c(OCC(O)CN2CCOCC2)c(C)c1.Cl.
What is the InChIKey of 1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is PJMUIGHTRMKUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3.ClH/c1-12-8-13(2)16(14(3)9-12)20-11-15(18)10-17-4-6-19-7-5-17;/h8-9,15,18H,4-7,10-11H2,1-3H3;1H.
What are the key properties of 1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride?
1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 11971912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).