4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol

C11H17NO3 — CID 117301901

IUPAC4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
SMILESCNCC(O)c1cc(C)c(O)c(OC)c1
InChIInChI=1S/C11H17NO3/c1-7-4-8(9(13)6-12-2)5-10(15-3)11(7)14/h4-5,9,12-14H,6H2,1-3H3
InChIKeyUHYHBRFJZGIWRW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.96
Rot. Bonds4

About 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol

4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol (PubChem CID 117301901) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
PubChem CID117301901
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
SMILESCNCC(O)c1cc(C)c(O)c(OC)c1
InChIInChI=1S/C11H17NO3/c1-7-4-8(9(13)6-12-2)5-10(15-3)11(7)14/h4-5,9,12-14H,6H2,1-3H3
InChIKeyUHYHBRFJZGIWRW-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-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol
CID 117325570
2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol
CID 84783811
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897
1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859193
1-(4-bromo-3-methoxyphenyl)-2-(methylamino)ethanol
CID 83734466
1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol
CID 117382207
1-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117406783
5-[1-hydroxy-2-(methylamino)ethyl]-2,3-dimethoxybenzaldehyde
CID 117350636
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
methyl 5-[1-hydroxy-2-(methylamino)ethyl]-2,3-dimethylbenzoate
CID 117347120
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
CID 117299254

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol?
The IUPAC name of 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol (CID 117301901) is 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol.
What is the SMILES notation for 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol?
The canonical SMILES for 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol is CNCC(O)c1cc(C)c(O)c(OC)c1.
What is the InChIKey of 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol?
The InChIKey is UHYHBRFJZGIWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-4-8(9(13)6-12-2)5-10(15-3)11(7)14/h4-5,9,12-14H,6H2,1-3H3.
What are the key properties of 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol?
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-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 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol is sourced from PubChem (CID 117301901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).