General Information of the Compound
Compound ID
CP0047728
Compound Name
(+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine
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Synonyms
1-(2,5-Dimethoxyphenyl-4-bromo)-2-aminopropane
1-(4-Bromo-2,5-dimethoxyphenyl)-2-aminopropane
1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
2,5-Dimethoxy-(4-bromo)phenylisopropylamine
2,5-Dimethoxy-4-bromoamphetamine
32156-26-6
4-Bromo-2,5-dimethoxy-alpha-methylbenzeneethanamine
4-Bromo-2,5-dimethoxyamphetamine
4-Bromo-2,5-dimethoxyphenylisopropylamine
4-Bromo-DMA
64638-07-9
Benzeneethanamine, 4-bromo-2,5-dimethoxy-alpha-methyl-
Brolamfetamine
Brolamfetaminum
CHEMBL6607
DEA No. 7391
DOB
DOB-4
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Structure
Formula
C11H16BrNO2
Molecular Weight
274.158
Canonical SMILES
COc1cc(CC(C)N)c(OC)cc1Br
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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
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InChIKey
FXMWUTGUCAKGQL-UHFFFAOYSA-N
CAS
64638-07-9
32156-26-6
Physicochemical Property
logP
2.356
Rotatable Bonds
4
Heavy Atom Count
15
Polar Areas
44.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
15

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 62065
SID: 15071198
ChEMBL ID
CHEMBL6607
DrugBank ID
DB01484
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01492, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  4
1
EC50 = 22 nM
   TI
   LI
   LO
   TS
2
EC50 = 72 nM
   TI
   LI
   LO
   TS
3
Ki = 13 nM
   TI
   LI
   LO
   TS
4
Ki = 32 nM
   TI
   LI
   LO
   TS
CL000238 A7r5 Rattus norvegicus (Rat)  1
1
EC50 = 60 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 72 nM
2 Ki = 0.1 nM
3 Ki = 2.2 nM
4 Ki = 22 nM
5 Ki = 32 nM
6 Ki = 41 nM
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 41 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 41 nM
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000398 A-9 Mus musculus (Mouse)  1
1
Ki = 64 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.8 nM
2 Ki = 70 nM
Clinical Information about the Compound
Drug 1 ( Brolamfetamine )
Drug Name Brolamfetamine
Target(s)
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 1D receptor (HTR1D)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor