N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyrazol-1-ylpropan-2-amine;hydrochloride
Basic information
- CAS
1208550-11-1- Standard SMILES
COc1cc(CNC(C)Cn2cccn2)cc2c1OCCO2.Cl- InChIKey
BVEDYOLCNTYAMM-UHFFFAOYSA-N- Molecular formula
- C16H22ClN3O3
- Average molar mass
- 339.82 g/mol
- Monoisotopic mass
- 339.1349693
Names & identifiers
- Preferred name
- N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyrazol-1-ylpropan-2-amine;hydrochloride
- IUPAC
- N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyrazol-1-ylpropan-2-amine;hydrochloride
Names & synonyms
CHEMBL3498254AKOS034623263Z839012758
Database identifiers
- CAS
1208550-11-1- PubChem CID
- 45818232
- ChEMBL
CHEMBL3498254
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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