Basic information
- Standard SMILES
COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN(C)C)cc(OC)c1.Cl- InChIKey
CZSGSEFSDPJFOI-UHFFFAOYSA-N- Molecular formula
- C22H30Cl2N2O4
- Average molar mass
- 457.4 g/mol
- Monoisotopic mass
- 456.1582628
Names & identifiers
- Preferred name
- 1-[4-Amino-5-chloro-2-(3,5-dimethoxybenzyloxy)phenyl]-5-dimethylaminopentan-1-one hydrochloride
- IUPAC
- 1-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(dimethylamino)pentan-1-one;hydrochloride
Names & synonyms
SCHEMBL8602123CZSGSEFSDPJFOI-UHFFFAOYSA-N1-[4-amino-5-chloro-2-(3,5-dimethoxybenzyloxy)phenyl]-5-dimethylaminopentan-1-one hydrochloride
Database identifiers
- PubChem CID
- 19081839
Properties
Computed structural properties
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 481
Related reactions
1 records
Compound notes
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