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4-Bromo-2,5-DMMA

CAT: 0931-T203247-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203247-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155638-80-5
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
4-Bromo-2,5-DMMA (Compound 2) demonstrates affinity for the 5-HT2 binding site and has an ED50 of 0.82 mg/kg in rat discrimination experiments.
Smiles
BrC=1C=C(OC)C(=CC1OC)CC(NC)C
Molecular Formula
C12H18BrNO2
Molecular Weight
288.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Bromo-2,5-dimethoxy-N,alpha-dimethylbenzeneethanamine
CAS Number155638-80-5
PubChem CID10085486
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-N-methylpropan-2-amine
Molecular FormulaC12H18BrNO2
Molecular Weight288.18
XLogP3.1
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity203
SMILES
CC(CC1=CC(=C(C=C1OC)Br)OC)NC
InChI
InChI=1S/C12H18BrNO2/c1-8(14-2)5-9-6-12(16-4)10(13)7-11(9)15-3/h6-8,14H,5H2,1-4H3
InChIKey
GURVSGCCXMIFMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2,5-dimethoxy-N,alpha-dimethylbenzeneethanamine
CAS: 155638-80-5
CID: 10085486
Formula: C12H18BrNO2
MW: 288.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.18
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass287.05209
Monoisotopic Mass287.05209
Topological Polar Surface Area30.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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