2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol

C9H11Br2NO2 — CID 39331449

IUPAC2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol
SMILESOCCNCc1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H11Br2NO2/c10-7-3-6(5-12-1-2-13)9(14)8(11)4-7/h3-4,12-14H,1-2,5H2
InChIKeyZXMHSVDGEXNOLI-UHFFFAOYSA-N
MW325.00 g/mol
LogP2.00
Rot. Bonds4

About 2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol

2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol (PubChem CID 39331449) has the molecular formula C9H11Br2NO2 and a molecular weight of 325.00 g/mol. Its IUPAC name is 2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol
PubChem CID39331449
Molecular FormulaC9H11Br2NO2
Molecular Weight325.00 g/mol
Exact Mass322.92
IUPAC Name2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol
SMILESOCCNCc1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H11Br2NO2/c10-7-3-6(5-12-1-2-13)9(14)8(11)4-7/h3-4,12-14H,1-2,5H2
InChIKeyZXMHSVDGEXNOLI-UHFFFAOYSA-N
XLogP2.00
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.00
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol (CID 39331449) is 2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol is OCCNCc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol?
The InChIKey is ZXMHSVDGEXNOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO2/c10-7-3-6(5-12-1-2-13)9(14)8(11)4-7/h3-4,12-14H,1-2,5H2.
What are the key properties of 2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol?
2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol has a molecular weight of 325.00 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(2-hydroxyethylamino)methyl]phenol is sourced from PubChem (CID 39331449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).