5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol

C10H16N2O3 — CID 110176309

IUPAC5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol
SMILESNCCNCC(O)c1cc(O)cc(O)c1
InChIInChI=1S/C10H16N2O3/c11-1-2-12-6-10(15)7-3-8(13)5-9(14)4-7/h3-5,10,12-15H,1-2,6,11H2
InChIKeyXCHJXGQSPAKKMA-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.32
Rot. Bonds5

About 5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol

5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol (PubChem CID 110176309) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol
PubChem CID110176309
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol
SMILESNCCNCC(O)c1cc(O)cc(O)c1
InChIInChI=1S/C10H16N2O3/c11-1-2-12-6-10(15)7-3-8(13)5-9(14)4-7/h3-5,10,12-15H,1-2,6,11H2
InChIKeyXCHJXGQSPAKKMA-UHFFFAOYSA-N
XLogP-0.32
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[2-(2-aminoethylamino)-1-hydroxyethyl]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

5-(2-amino-1-hydroxyethyl)benzene-1,3-diol
CID 12534519
2-(2-aminoethylamino)-1-pyridin-4-ylethanol
CID 21482923
5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 71368839
2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol
CID 21482954
ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
CID 143733652
4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 67587574
5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol
CID 14369545
[(2S)-2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-propan-2-ylazanium
CID 25271692
5-[1-(4-aminobutylamino)ethyl]benzene-1,3-diol
CID 107706031
4-[(1R)-2-[6-[[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol
CID 24993924
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
5-[(1S)-1,5-diaminopentyl]benzene-1,3-diol
CID 171219413

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol?
The IUPAC name of 5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol (CID 110176309) is 5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol?
The canonical SMILES for 5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol is NCCNCC(O)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol?
The InChIKey is XCHJXGQSPAKKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c11-1-2-12-6-10(15)7-3-8(13)5-9(14)4-7/h3-5,10,12-15H,1-2,6,11H2.
What are the key properties of 5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol?
5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol has a molecular weight of 212.25 g/mol, XLogP of -0.32, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol is sourced from PubChem (CID 110176309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).