4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol

C11H17NO3 — CID 131858133

IUPAC4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
SMILESCCN(C)C[C@H](O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H17NO3/c1-3-12(2)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,13-15H,3,7H2,1-2H3/t11-/m0/s1
InChIKeyOGCCLPASLPLHDJ-NSHDSACASA-N
MW211.26 g/mol
LogP1.08
Rot. Bonds4

About 4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol

4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol (PubChem CID 131858133) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
PubChem CID131858133
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
SMILESCCN(C)C[C@H](O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H17NO3/c1-3-12(2)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,13-15H,3,7H2,1-2H3/t11-/m0/s1
InChIKeyOGCCLPASLPLHDJ-NSHDSACASA-N
XLogP1.08
TPSA63.93 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 ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 22005903
N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide
CID 123887702
4-[(1S)-1-hydroxybutyl]benzene-1,2-diol;4-[(1R)-1-hydroxybutyl]benzene-1,2-diol
CID 162227064
4-[2-[cyclohepta-1,3,5-trien-1-ylmethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 142044413
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol
CID 130033907
2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 110899571
[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azanium
CID 6921839
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroiodide
CID 71478439
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71478438
3-(3,4-dihydroxyphenyl)-2-[ethyl(methyl)amino]-3-hydroxypropanoic acid
CID 14070860

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol?
The IUPAC name of 4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol (CID 131858133) is 4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol is CCN(C)C[C@H](O)c1ccc(O)c(O)c1.
What is the InChIKey of 4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol?
The InChIKey is OGCCLPASLPLHDJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-12(2)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11,13-15H,3,7H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol?
4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol has a molecular weight of 211.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol is sourced from PubChem (CID 131858133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).