1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride

C15H24ClNO3 — CID 2843453

IUPAC1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCc1ccc(OCC(O)CN2CCOCC2)cc1C.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-12-3-4-15(9-13(12)2)19-11-14(17)10-16-5-7-18-8-6-16;/h3-4,9,14,17H,5-8,10-11H2,1-2H3;1H
InChIKeyUZAWXDOWPXBYCW-UHFFFAOYSA-N
MW301.81 g/mol
LogP1.80
Rot. Bonds5

About 1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride

1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride (PubChem CID 2843453) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
PubChem CID2843453
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCc1ccc(OCC(O)CN2CCOCC2)cc1C.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-12-3-4-15(9-13(12)2)19-11-14(17)10-16-5-7-18-8-6-16;/h3-4,9,14,17H,5-8,10-11H2,1-2H3;1H
InChIKeyUZAWXDOWPXBYCW-UHFFFAOYSA-N
XLogP1.80
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Toliprolol
CID 18047
Indeloxazine
CID 3704
Xibenolol
CID 146256
(2-Hydroxy-3-(m-tolyloxy)propyl)isopropylammonium chloride
CID 120651
2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)-
CID 200475
1-((1-Methylethyl)amino)-3-(2-naphthalenyloxy)-2-propanol
CID 2769826
Indenolol
CID 71955
Pranolium Chloride
CID 39328
1-(2-Allylphenoxy)-3-morpholinopropan-2-ol
CID 2769774
(S)-Toliprolol
CID 12179890
Indeloxazine Hydrochloride
CID 47517
4-Morpholineethanol, alpha-((1-naphthalenyloxy)methyl)-
CID 98212

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride (CID 2843453) is 1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride is Cc1ccc(OCC(O)CN2CCOCC2)cc1C.Cl.
What is the InChIKey of 1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The InChIKey is UZAWXDOWPXBYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.ClH/c1-12-3-4-15(9-13(12)2)19-11-14(17)10-16-5-7-18-8-6-16;/h3-4,9,14,17H,5-8,10-11H2,1-2H3;1H.
What are the key properties of 1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride has a molecular weight of 301.81 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 2843453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).