4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol

C11H17NO3 — CID 84781748

IUPAC4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
SMILESCOc1c(C(O)CN)cc(C)c(O)c1C
InChIInChI=1S/C11H17NO3/c1-6-4-8(9(13)5-12)11(15-3)7(2)10(6)14/h4,9,13-14H,5,12H2,1-3H3
InChIKeyLNOYPAPQMAIESF-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.01
Rot. Bonds3

About 4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol

4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol (PubChem CID 84781748) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
PubChem CID84781748
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
SMILESCOc1c(C(O)CN)cc(C)c(O)c1C
InChIInChI=1S/C11H17NO3/c1-6-4-8(9(13)5-12)11(15-3)7(2)10(6)14/h4,9,13-14H,5,12H2,1-3H3
InChIKeyLNOYPAPQMAIESF-UHFFFAOYSA-N
XLogP1.01
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752
6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84714365
5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117306460
3-amino-2-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84701186
2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
CID 84792671
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol
CID 117284183
3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 84814417
2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 84688656
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
2-(2-amino-1-hydroxyethyl)-4-ethyl-6-methylphenol
CID 83879423

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol (CID 84781748) is 4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol is COc1c(C(O)CN)cc(C)c(O)c1C.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol?
The InChIKey is LNOYPAPQMAIESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-6-4-8(9(13)5-12)11(15-3)7(2)10(6)14/h4,9,13-14H,5,12H2,1-3H3.
What are the key properties of 4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol?
4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol has a molecular weight of 211.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol is sourced from PubChem (CID 84781748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).