Basic information
- CAS
2803-69-2- Standard SMILES
C[NH+]1CCc2ccccc2C1Cc1ccc(F)cc1[NH3+].[Cl-].[Cl-]- InChIKey
YPAMGQMUBOMUNA-UHFFFAOYSA-N- Molecular formula
- C17H21Cl2FN2
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 342.1065822
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(2-amino-4-fluorobenzyl)-2-methyl-, dihydrochloride
- IUPAC
- [5-fluoro-2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]phenyl]azanium dichloride
Names & synonyms
1-(2-Amino-4-fluorobenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline dihydrochlorideIsoquinoline, 1,2,3,4-tetrahydro-1-(2-amino-4-fluorobenzyl)-2-methyl-, dihydrochlorideRefChem:3498932803-69-2
Database identifiers
- CAS
2803-69-2- PubChem CID
- 17752
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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