5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol

C11H17NO3 — CID 117301752

IUPAC5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
SMILESCOc1c(O)cc(C(O)CN)c(C)c1C
InChIInChI=1S/C11H17NO3/c1-6-7(2)11(15-3)9(13)4-8(6)10(14)5-12/h4,10,13-14H,5,12H2,1-3H3
InChIKeyYURJFMZXKYWVBB-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.01
Rot. Bonds3

About 5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol

5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol (PubChem CID 117301752) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol.

Molecular Properties

Compound Name5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
PubChem CID117301752
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
SMILESCOc1c(O)cc(C(O)CN)c(C)c1C
InChIInChI=1S/C11H17NO3/c1-6-7(2)11(15-3)9(13)4-8(6)10(14)5-12/h4,10,13-14H,5,12H2,1-3H3
InChIKeyYURJFMZXKYWVBB-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

5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117306460
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
CID 84781748
6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84714365
4-amino-4-(5-hydroxy-4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 117385778
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol
CID 117284183
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
CID 116830198
4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol
CID 84785759
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843
3-cyclopropyl-3-(5-hydroxy-4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 117415157

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol?
The IUPAC name of 5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol (CID 117301752) is 5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol.
What is the SMILES notation for 5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol?
The canonical SMILES for 5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol is COc1c(O)cc(C(O)CN)c(C)c1C.
What is the InChIKey of 5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol?
The InChIKey is YURJFMZXKYWVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-6-7(2)11(15-3)9(13)4-8(6)10(14)5-12/h4,10,13-14H,5,12H2,1-3H3.
What are the key properties of 5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol?
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-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 5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol is sourced from PubChem (CID 117301752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).