Propranolol

Chemical Information
Propranolol is a propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. It has a role as an anxiolytic drug, a beta-adrenergic antagonist, a vasodilator agent, an antihypertensive agent, a xenobiotic, an anti-arrhythmia drug, an environmental contaminant and a human blood serum metabolite. It is a member of naphthalenes, a secondary amine and a propanolamine. It is functionally related to a 1-naphthol.
| CAS Number | 525-66-6 |
| PubChem CID | 4946 |
| IUPAC Name | 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol |
| Molecular Formula | C16H21NO2 |
| Molecular Weight | 259.34 |
| XLogP | 3 |
| Topological Polar Surface Area | 41.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 257 |
| Property | Value |
|---|---|
| Molecular Weight | 259.34 |
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 259.157228913 |
| Monoisotopic Mass | 259.157228913 |
| Topological Polar Surface Area | 41.5 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 257 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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