Basic information
- CAS
18483-72-2- Standard SMILES
CN(C)CCc1cn(C)c2cccc(OP(=O)(O)O)c12- InChIKey
IXYYGDKANFIKTQ-UHFFFAOYSA-N- Molecular formula
- C13H19N2O4P
- Average molar mass
- 298.27 g/mol
- Monoisotopic mass
- 298.10824409
Names & identifiers
- Preferred name
- N-Methylpsilocybine
- IUPAC
- [3-[2-(dimethylamino)ethyl]-1-methylindol-4-yl] dihydrogen phosphate
Names & synonyms
N-Methylpsilocybine2SYF3JM98WCHEMBL19812318483-72-2Indol-4-ol, 3-(2-dimethylaminoethyl)-1-methyl-, phosphateIndol-4-ol, 3-(2-(dimethylamino)ethyl)-1-methyl-, dihydrogen phosphate1H-Indol-4-ol, 3-(2-(dimethylamino)ethyl)-1-methyl-, dihydrogen phosphate (ester)Indol-4-ol, 3-(2-(dimethylamino)ethyl)-1-methyl-, dihydrogen phosphate (ester)UNII-2SYF3JM98WSCHEMBL29405683SCHEMBL30356554DTXSID80274868
Show more names
BDBM50171266[3-[2-(dimethylamino)ethyl]-1-methylindol-4-yl] dihydrogen phosphate3-[2-(dimethylamino)ethyl]-1-methyl-1H-indol-4-yl dihydrogen phosphatePhosphoric acid mono-[3-(2-dimethylamino-ethyl)-1-methyl-1H-indol-4-yl] ester
Database identifiers
- CAS
18483-72-2- PubChem CID
- 29101
- DTXSID
DTXSID80274868- ChEMBL
CHEMBL198123- UNII
- 2SYF3JM98W
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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