| Sonrisas canónicas | C1=CC=C(C=C1)CCNCC2=CC=CC=N2 |
|---|---|
| IUPAC Name | 2-phenyl-N-(pyridin-2-ylmethyl)ethanamine |
| InChIKey | BPCVSTFLDMPNBX-UHFFFAOYSA-N |
| INCHI | 1S/C14H16N2/c1-2-6-13(7-3-1)9-11-15-12-14-8-4-5-10-16-14/h1-8,10,15H,9,11-12H2 |
| Isómeros SMILES | C1=CC=C(C=C1)CCNCC2=CC=CC=N2 |
| PubChem CID | 2063754 |
| Peso molecular | 212.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenethylamines |
| Alternative Parents | 2-pyridylmethylamines Aralkylamines Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenethylamine - 2-pyridylmethylamine - Aralkylamine - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. |
| External Descriptors | Not available |
| Peso molecular | 212.290 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 212.131 Da |
| Monoisotopic Mass | 212.131 Da |
| Topological Polar Surface Area | 24.900 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 176.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
