5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol

C11H17NO3 — CID 117301897

IUPAC5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
SMILESCNCC(O)c1cc(O)c(C)cc1OC
InChIInChI=1S/C11H17NO3/c1-7-4-11(15-3)8(5-9(7)13)10(14)6-12-2/h4-5,10,12-14H,6H2,1-3H3
InChIKeyWGPACPAXJZCEEN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.96
Rot. Bonds4

About 5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol

5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol (PubChem CID 117301897) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol.

Molecular Properties

Compound Name5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
PubChem CID117301897
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
SMILESCNCC(O)c1cc(O)c(C)cc1OC
InChIInChI=1S/C11H17NO3/c1-7-4-11(15-3)8(5-9(7)13)10(14)6-12-2/h4-5,10,12-14H,6H2,1-3H3
InChIKeyWGPACPAXJZCEEN-UHFFFAOYSA-N
XLogP0.96
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 82113342
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
CID 117301901
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117359840
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
1-(4-tert-butyl-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117382208
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol
CID 84783811
5-[1-hydroxy-2-(methylamino)ethyl]-3,4-dimethylbenzene-1,2-diol
CID 117301904

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol?
The IUPAC name of 5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol (CID 117301897) is 5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol.
What is the SMILES notation for 5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol?
The canonical SMILES for 5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol is CNCC(O)c1cc(O)c(C)cc1OC.
What is the InChIKey of 5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol?
The InChIKey is WGPACPAXJZCEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-4-11(15-3)8(5-9(7)13)10(14)6-12-2/h4-5,10,12-14H,6H2,1-3H3.
What are the key properties of 5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol?
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol has a molecular weight of 211.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol is sourced from PubChem (CID 117301897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).