Basic information
- CAS
20513-16-0- Standard SMILES
COc1ccc(OC)c(OC)c1CC(C)N- InChIKey
OASZJWLOOFXASO-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- 2,3,6-Trimethoxyamphetamine, DL-
- IUPAC
- 1-(2,3,6-trimethoxyphenyl)propan-2-amine
Names & synonyms
TMA-5UNII-E0NJ557A3E2,3,6-Trimethoxyamphetamine, DL-E0NJ557A3E20513-16-0RefChem:1973102,3,6-TRIMETHOXYAMPHETAMINEJ273.468K1-(2,3,6-trimethoxyphenyl)propan-2-amineBenzeneethanamine, 2,3,6-trimethoxy-alpha-methyl-Phenethylamine, 2,3,6-trimethoxy-alpha-methyl-SCHEMBL397843
Show more names
CHEMBL125134SCHEMBL29543321DL-2,3,6-trimethoxyamphetamineDTXSID90274910PD099303Q27276713PHENETHYLAMINE, 2,3,6-TRIMETHOXY-.ALPHA.-METHYL-BENZENEETHANAMINE, 2,3,6-TRIMETHOXY-.ALPHA.-METHYL-
Database identifiers
- CAS
20513-16-0- PubChem CID
- 31013
- DTXSID
DTXSID90274910- ChEMBL
CHEMBL125134- UNII
- E0NJ557A3E
- Nikkaji
- J273.468K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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