Basic information
- CAS
711-54-6- Standard SMILES
CC(N)Cc1c[nH]c2cccc(Cl)c12- InChIKey
AXIDQCXFZFPMKY-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2
- Average molar mass
- 208.69 g/mol
- Monoisotopic mass
- 208.0767261
Names & identifiers
- Preferred name
- Indole, 4-chloro-3-(2-amino-1-propyl)-
- IUPAC
- 1-(4-chloro-1H-indol-3-yl)propan-2-amine
Names & synonyms
711-54-6INDOLE, 4-CHLORO-3-(2-AMINO-1-PROPYL)-RefChem:10873401-(4-chloro-1H-indol-3-yl)propan-2-amine4-Chloro-3-(alpha-methylaminoethyl) indoleBRN 04759504-Chloro-3-(2-amino-1-propyl)indoleIndol, 3-(2-aminpropyl)-4-chloro-DTXSID10991415AKOS022212105
Database identifiers
- CAS
711-54-6- PubChem CID
- 12832
- DTXSID
DTXSID10991415
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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