2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol

C14H16N2O3 — CID 18371293

IUPAC2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol
SMILESNc1ccc(NCCO)c(-c2cc(O)ccc2O)c1
InChIInChI=1S/C14H16N2O3/c15-9-1-3-13(16-5-6-17)11(7-9)12-8-10(18)2-4-14(12)19/h1-4,7-8,16-19H,5-6,15H2
InChIKeyHEGMTLDCSTVRCY-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.75
Rot. Bonds4

About 2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol

2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol (PubChem CID 18371293) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol
PubChem CID18371293
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol
SMILESNc1ccc(NCCO)c(-c2cc(O)ccc2O)c1
InChIInChI=1S/C14H16N2O3/c15-9-1-3-13(16-5-6-17)11(7-9)12-8-10(18)2-4-14(12)19/h1-4,7-8,16-19H,5-6,15H2
InChIKeyHEGMTLDCSTVRCY-UHFFFAOYSA-N
XLogP1.75
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol?
The IUPAC name of 2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol (CID 18371293) is 2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol.
What is the SMILES notation for 2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol?
The canonical SMILES for 2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol is Nc1ccc(NCCO)c(-c2cc(O)ccc2O)c1.
What is the InChIKey of 2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol?
The InChIKey is HEGMTLDCSTVRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-9-1-3-13(16-5-6-17)11(7-9)12-8-10(18)2-4-14(12)19/h1-4,7-8,16-19H,5-6,15H2.
What are the key properties of 2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol?
2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol has a molecular weight of 260.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,4-diol is sourced from PubChem (CID 18371293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).