4-Bromo-2,5-dimethoxy-N,alpha-dimethylbenzeneethanamine
Basic information
- CAS
155638-80-5- Standard SMILES
CNC(C)Cc1cc(OC)c(Br)cc1OC- InChIKey
GURVSGCCXMIFMQ-UHFFFAOYSA-N- Molecular formula
- C12H18BrNO2
- Average molar mass
- 288.18 g/mol
- Monoisotopic mass
- 287.05209
Names & identifiers
- Preferred name
- 4-Bromo-2,5-dimethoxy-N,alpha-dimethylbenzeneethanamine
- IUPAC
- 1-(4-bromo-2,5-dimethoxyphenyl)-N-methylpropan-2-amine
- English name
- 4-bromo-2,5-DMMA
- Molecular formula
- C12H18BrNO2
- Molecular weight
- 288.18082
Names & synonyms
Methyl-DOB155638-80-5WW3LF52S824-Bromo-2,5-dimethoxy-N,alpha-dimethylbenzeneethanamineRefChem:10703834-bromo-2,5-DMMA1-(4-bromo-2,5-dimethoxyphenyl)-N-methylpropan-2-amineUNII-WW3LF52S82CHEMBL3518582,5-dimethoxy-4-bromo-methamphetamineBenzeneethanamine, 4-bromo-2,5-dimethoxy-N,alpha-dimethyl-orb2814478
Show more names
Benzeneethanamine, 4-bromo-2,5-dimethoxy-N,α-dimethyl-
SCHEMBL5460924SCHEMBL29967897DTXSID60435435[1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl](methyl)amine1-(4-bromo-2,5-dimethoxy-phenyl)-N-methyl-propan-2-amineFGA63880BDBM50005254MFCD27945420
Database identifiers
- CAS
155638-80-5- PubChem CID
- 10085486
- DTXSID
DTXSID60435435- ChEMBL
CHEMBL351858- UNII
- WW3LF52S82
- Nikkaji
- J449.664G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 343.3 · 343.3±37.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; Ethanol: 20 mg/ml; PBS (pH 7.2): 10 mg/ml
- pka
- 9.99 · 9.99±0.10(Predicted)
- FDA UNII
- 3 LF52S82 · WW3LF52S82
Chemistry & industry
Applications
Uses4-Bromo-2,5-DMMA (Compound 2) has affinity for 5-HT2 binding sites. 4-Bromo-2,5-DMMA has an ED50 of 0.82 mg/kg in the rat discrimination tests[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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