4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol

C10H15NO3 — CID 67042709

IUPAC4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
SMILESCNC[C@H](O)c1ccc(O)c(O)c1C
InChIInChI=1S/C10H15NO3/c1-6-7(9(13)5-11-2)3-4-8(12)10(6)14/h3-4,9,11-14H,5H2,1-2H3/t9-/m0/s1
InChIKeyKPVHLHCZOXNCFV-VIFPVBQESA-N
MW197.23 g/mol
LogP0.66
Rot. Bonds3

About 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol

4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol (PubChem CID 67042709) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol.

Molecular Properties

Compound Name4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
PubChem CID67042709
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol
SMILESCNC[C@H](O)c1ccc(O)c(O)c1C
InChIInChI=1S/C10H15NO3/c1-6-7(9(13)5-11-2)3-4-8(12)10(6)14/h3-4,9,11-14H,5H2,1-2H3/t9-/m0/s1
InChIKeyKPVHLHCZOXNCFV-VIFPVBQESA-N
XLogP0.66
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.66
H-Bond Donors ≤ 54
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

5-[1-hydroxy-2-(methylamino)ethyl]-3,4-dimethylbenzene-1,2-diol
CID 117301904
1-(4-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanol
CID 84805808
1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
CID 84783153
1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117323942
1-(3-bromo-4-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84810359
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol
CID 84793313
1-(3-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 83698787
2-fluoro-6-[1-hydroxy-2-(methylamino)ethyl]-3-methylsulfonylphenol
CID 117412232
2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 82608027
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
4-[1-hydroxy-2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]ethyl]-3-methylbenzene-1,2-diol
CID 69230233

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol?
The IUPAC name of 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol (CID 67042709) is 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol.
What is the SMILES notation for 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol?
The canonical SMILES for 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol is CNC[C@H](O)c1ccc(O)c(O)c1C.
What is the InChIKey of 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol?
The InChIKey is KPVHLHCZOXNCFV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO3/c1-6-7(9(13)5-11-2)3-4-8(12)10(6)14/h3-4,9,11-14H,5H2,1-2H3/t9-/m0/s1.
What are the key properties of 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol?
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol has a molecular weight of 197.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-3-methylbenzene-1,2-diol is sourced from PubChem (CID 67042709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).