5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol

C11H17NO3 — CID 4086

IUPAC5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
SMILESCC(C)NCC(O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
InChIKeyLMOINURANNBYCM-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.13
Rot. Bonds4

About 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol

5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol (PubChem CID 4086) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
PubChem CID4086
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
SMILESCC(C)NCC(O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
InChIKeyLMOINURANNBYCM-UHFFFAOYSA-N
XLogP1.13
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Epinephrine
CID 5816
Phenylephrine
CID 6041
Isoproterenol
CID 3779
Synephrine
CID 7172
Salbutamol
CID 2083
Terbutaline
CID 5403
Nylidrin
CID 4567
Fenoterol
CID 3343
Metaraminol
CID 5906
(+-)-Adrenaline
CID 838
Metaproterenol Sulfate
CID 441333
Etilefrine
CID 3306

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol (CID 4086) is 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol is CC(C)NCC(O)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol?
The InChIKey is LMOINURANNBYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3.
What are the key properties of 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol?
5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol has a molecular weight of 211.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 4086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).