Ro60-0175

Chemical Information
(2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine is a 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine that has S configuration. A selective agonist for both the 5-hydroxytryptamine 2B (5-HT2B) and 5-hydroxytryptamine 2C (5-HT2C)serotonin receptor subtypes, commonly used as fumarate salt. It has a role as a 5-hydroxytryptamine 2B receptor agonist and a 5-hydroxytryptamine 2C receptor agonist.
| CAS Number | 169675-08-5 |
| PubChem CID | 3045227 |
| IUPAC Name | (2S)-1-(6-chloro-5-fluoroindol-1-yl)propan-2-amine |
| Molecular Formula | C11H12ClFN2 |
| Molecular Weight | 226.68 |
| XLogP | 2.2 |
| Topological Polar Surface Area | 31 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 227 |
| Property | Value |
|---|---|
| Molecular Weight | 226.68 |
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 226.0673042 |
| Monoisotopic Mass | 226.0673042 |
| Topological Polar Surface Area | 31 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 227 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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