brolamfetamine   Click here for help

GtoPdb Ligand ID: 163

Abbreviated name: DOB
Synonyms: 2,5-dimethoxy-4-bromoamphetamine
Compound class: Synthetic organic
Comment: The INN-assigned compound brolamfetamine is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 44.48
Molecular weight 273.04
XLogP 2.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(Br)c(cc1CC(N)C)OC
Isomeric SMILES COc1cc(Br)c(cc1CC(N)C)OC
InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChI Key FXMWUTGUCAKGQL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
International Nonproprietary Names Click here for help
INN number INN
5874 brolamfetamine
Synonyms Click here for help
2,5-dimethoxy-4-bromoamphetamine
Database Links Click here for help
CAS Registry No. 64638-07-9 (source: Scifinder)
ChEMBL Ligand CHEMBL6607
DrugBank Ligand DB01484
GtoPdb PubChem SID 135650198
PubChem CID 62065
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Wikipedia 2,5-Dimethoxy-4-bromoamphetamine