| Canonical Smiles | CC(CC1=CNC2=C1C=C(C=C2)F)N.Cl |
|---|---|
| IUPAC Name | 1-(5-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride |
| InChIKey | RVHBLKWBRZWGLS-UHFFFAOYSA-N |
| INCHI | 1S/C11H13FN2.ClH/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11;/h2-3,5-7,14H,4,13H2,1H3;1H |
| Isomeric SMILES | CC(CC1=CNC2=C1C=C(C=C2)F)N.Cl |
| Alternate CAS | 95173-09-4 |
| PubChem CID | 16219356 |
| MeSH Entry Terms | 5-fluoro-alpha-methyltryptamine;5-fluoro-alpha-methyltryptamine hydrochloride;5-fluoro-alpha-methyltryptamine, monohydrochloride |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-alkylindoles |
| Alternative Parents | Aralkylamines Substituted pyrroles Benzenoids Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Organic zwitterions Organic chloride salts Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-alkylindole - Aralkylamine - Aryl fluoride - Aryl halide - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Amine - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position. |
| External Descriptors | Not available |
| Molecular Weight | 228.690 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 228.083 Da |
| Monoisotopic Mass | 228.083 Da |
| Topological Polar Surface Area | 41.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 198.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
