Basic information
- CAS
14517-78-3- Standard SMILES
CC(CN)c1c[nH]c2ccc(Cl)cc12- InChIKey
UZXFNXLZOJSTBF-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2
- Average molar mass
- 208.69 g/mol
- Monoisotopic mass
- 208.0767261
Names & identifiers
- Preferred name
- 2-(5-Chloro-1H-indol-3-yl)propan-1-amine
- IUPAC
- 2-(5-chloro-1H-indol-3-yl)propan-1-amine
Names & synonyms
14517-78-32-(5-chloro-1H-indol-3-yl)propan-1-amineDTXSID00932519RefChem:1061355DTXCID5013612085-Chloro-beta-methyltryptamineBRN 0393254INDOLE, 5-CHLORO-3-(1-AMINO-2-PROPYL)-Indole, 3-(2-amino-1-methylethyl)-5-chloro-5-22-10-00157 (Beilstein Handbook Reference)SCHEMBL1247512
Database identifiers
- CAS
14517-78-3- PubChem CID
- 26720
- DTXSID
DTXSID00932519
Properties
Computed structural properties
- XLogP
- 2.3
- 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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