3-(2,4-dibromo-5-methylanilino)propane-1,2-diol

C10H13Br2NO2 — CID 168596416

IUPAC3-(2,4-dibromo-5-methylanilino)propane-1,2-diol
SMILESCc1cc(NCC(O)CO)c(Br)cc1Br
InChIInChI=1S/C10H13Br2NO2/c1-6-2-10(9(12)3-8(6)11)13-4-7(15)5-14/h2-3,7,13-15H,4-5H2,1H3
InChIKeyGEWLIZKQTJQHJC-UHFFFAOYSA-N
MW339.03 g/mol
LogP2.29
Rot. Bonds4

About 3-(2,4-dibromo-5-methylanilino)propane-1,2-diol

3-(2,4-dibromo-5-methylanilino)propane-1,2-diol (PubChem CID 168596416) has the molecular formula C10H13Br2NO2 and a molecular weight of 339.03 g/mol. Its IUPAC name is 3-(2,4-dibromo-5-methylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,4-dibromo-5-methylanilino)propane-1,2-diol
PubChem CID168596416
Molecular FormulaC10H13Br2NO2
Molecular Weight339.03 g/mol
Exact Mass336.93
IUPAC Name3-(2,4-dibromo-5-methylanilino)propane-1,2-diol
SMILESCc1cc(NCC(O)CO)c(Br)cc1Br
InChIInChI=1S/C10H13Br2NO2/c1-6-2-10(9(12)3-8(6)11)13-4-7(15)5-14/h2-3,7,13-15H,4-5H2,1H3
InChIKeyGEWLIZKQTJQHJC-UHFFFAOYSA-N
XLogP2.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dibromo-5-methylanilino)propane-1,2-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

3-(4-bromo-2,5-dimethylanilino)propane-1,2-diol
CID 168596082
(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
CID 70935022
3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
[4-bromo-2-(2,3-dihydroxypropylamino)-5-methylphenyl] trifluoromethanesulfonate
CID 168594883
3-(2,5-dibromoanilino)propane-1,2-diol
CID 76904670
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propane-1,2-diol
CID 86802622
3-(4-bromo-2-chloro-3-methylanilino)propane-1,2-diol
CID 168596172
3-[2-bromo-4,5-bis(trifluoromethyl)anilino]propane-1,2-diol
CID 168595054
3-(4-bromo-2-methoxy-3-methylanilino)propane-1,2-diol
CID 168597062
1-[4-bromo-3-(2,3-dihydroxypropylamino)phenyl]ethanone
CID 168594040
(2S)-3-(5-bromo-2,4-difluoroanilino)propane-1,2-diol
CID 102853500
(2S)-3-(2,4,6-tribromoanilino)propane-1,2-diol
CID 61142582

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromo-5-methylanilino)propane-1,2-diol?
The IUPAC name of 3-(2,4-dibromo-5-methylanilino)propane-1,2-diol (CID 168596416) is 3-(2,4-dibromo-5-methylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(2,4-dibromo-5-methylanilino)propane-1,2-diol?
The canonical SMILES for 3-(2,4-dibromo-5-methylanilino)propane-1,2-diol is Cc1cc(NCC(O)CO)c(Br)cc1Br.
What is the InChIKey of 3-(2,4-dibromo-5-methylanilino)propane-1,2-diol?
The InChIKey is GEWLIZKQTJQHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2/c1-6-2-10(9(12)3-8(6)11)13-4-7(15)5-14/h2-3,7,13-15H,4-5H2,1H3.
What are the key properties of 3-(2,4-dibromo-5-methylanilino)propane-1,2-diol?
3-(2,4-dibromo-5-methylanilino)propane-1,2-diol has a molecular weight of 339.03 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromo-5-methylanilino)propane-1,2-diol is sourced from PubChem (CID 168596416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).