2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol

C10H13Br2NO — CID 71360050

IUPAC2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol
SMILESCN(C)CCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C10H13Br2NO/c1-13(2)4-3-7-5-8(11)10(14)9(12)6-7/h5-6,14H,3-4H2,1-2H3
InChIKeyQIQKPWCVGIQIBB-UHFFFAOYSA-N
MW323.03 g/mol
LogP3.02
Rot. Bonds3

About 2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol

2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol (PubChem CID 71360050) has the molecular formula C10H13Br2NO and a molecular weight of 323.03 g/mol. Its IUPAC name is 2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol
PubChem CID71360050
Molecular FormulaC10H13Br2NO
Molecular Weight323.03 g/mol
Exact Mass320.94
IUPAC Name2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol
SMILESCN(C)CCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C10H13Br2NO/c1-13(2)4-3-7-5-8(11)10(14)9(12)6-7/h5-6,14H,3-4H2,1-2H3
InChIKeyQIQKPWCVGIQIBB-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dibromo-4-[2-(dimethylamino)ethyl]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 2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol?
The IUPAC name of 2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol (CID 71360050) is 2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol is CN(C)CCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol?
The InChIKey is QIQKPWCVGIQIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO/c1-13(2)4-3-7-5-8(11)10(14)9(12)6-7/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol?
2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol has a molecular weight of 323.03 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol is sourced from PubChem (CID 71360050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).