4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol

C10H15NO3 — CID 43151178

IUPAC4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
SMILESCC(NCCO)c1ccc(O)cc1O
InChIInChI=1S/C10H15NO3/c1-7(11-4-5-12)9-3-2-8(13)6-10(9)14/h2-3,6-7,11-14H,4-5H2,1H3
InChIKeyRKRNCGAIBNZQFE-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.74
Rot. Bonds4

About 4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol

4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol (PubChem CID 43151178) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
PubChem CID43151178
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
SMILESCC(NCCO)c1ccc(O)cc1O
InChIInChI=1S/C10H15NO3/c1-7(11-4-5-12)9-3-2-8(13)6-10(9)14/h2-3,6-7,11-14H,4-5H2,1H3
InChIKeyRKRNCGAIBNZQFE-UHFFFAOYSA-N
XLogP0.74
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
4-[1-(4,4,4-trifluorobutylamino)ethyl]benzene-1,3-diol
CID 115516399
4-[1-(5,5,5-trifluoropentylamino)ethyl]benzene-1,3-diol
CID 115517298
5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide
CID 106234212
3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934715
4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
CID 113478638
4-[1-[(2-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 114331579
2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781
4-[1-(3-pyrrolidin-1-ylpropylamino)ethyl]benzene-1,3-diol
CID 43203858
4-[1-[2-(3-methylphenyl)ethylamino]ethyl]benzene-1,3-diol
CID 62314440
4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008680

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol (CID 43151178) is 4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol is CC(NCCO)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol?
The InChIKey is RKRNCGAIBNZQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(11-4-5-12)9-3-2-8(13)6-10(9)14/h2-3,6-7,11-14H,4-5H2,1H3.
What are the key properties of 4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol?
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol has a molecular weight of 197.23 g/mol, XLogP of 0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 43151178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).