4-(2-chloroethyl)-1-methyl-4,5,6,7-tetrahydro-1H-indole
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Basic information
- Standard SMILES
Cn1ccc2c1CCCC2CCCl- InChIKey
IHULQLFLPPOENZ-UHFFFAOYSA-N- Molecular formula
- C11H16ClN
- Average molar mass
- 197.7 g/mol
- Monoisotopic mass
- 197.0971272
Names & identifiers
- Preferred name
- 4-(2-chloroethyl)-1-methyl-4,5,6,7-tetrahydro-1H-indole
- IUPAC
- 4-(2-chloroethyl)-1-methyl-4,5,6,7-tetrahydroindole
Names & synonyms
SCHEMBL4526093IHULQLFLPPOENZ-UHFFFAOYSA-N4-(2-chloroethyl)-1-methyl-4,5,6,7-tetrahydro-1H-indole
Database identifiers
- PubChem CID
- 69079129
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
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Related reactions
4 records
Compound notes
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