Basic information
- Standard SMILES
CC1c2ccccc2C(C)(C)CN1C(=O)C(Cl)Cl- InChIKey
YDOSBBVVGPBMCL-UHFFFAOYSA-N- Molecular formula
- C14H17Cl2NO
- Average molar mass
- 286.2 g/mol
- Monoisotopic mass
- 285.0687196
Names & identifiers
- Preferred name
- 2-(Dichloroacetyl)-1,4,4-trimethyl-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 2,2-dichloro-1-(1,4,4-trimethyl-1,3-dihydroisoquinolin-2-yl)ethanone
Names & synonyms
SCHEMBL9509051YDOSBBVVGPBMCL-UHFFFAOYSA-N2-(Dichloroacetyl)-1,4,4-trimethyl-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- PubChem CID
- 20133052
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
2 records
Compound notes
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