Basic information
- CAS
55122-40-2- Standard SMILES
COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C- InChIKey
MTWNWMGGMZUIMZ-NSHDSACASA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1076919
Names & identifiers
- Preferred name
- (1S)-8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
- IUPAC
- (1S)-8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
Names & synonyms
DTXSID301380713(1S)-8-chloro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine55122-40-2
Database identifiers
- CAS
55122-40-2- PubChem CID
- 34787
- DTXSID
DTXSID301380713
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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