| Canonical Smiles | CCOC1=C(N=CC=C1)CN |
|---|---|
| IUPAC Name | (3-ethoxypyridin-2-yl)methanamine |
| InChIKey | ZPRFJCMZWAGXHX-UHFFFAOYSA-N |
| INCHI | 1S/C8H12N2O/c1-2-11-8-4-3-5-10-7(8)6-9/h3-5H,2,6,9H2,1H3 |
| Molecular Weight | 152.190 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | 2-pyridylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-pyridylmethylamines |
| Alternative Parents | Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-pyridylmethylamine - Alkyl aryl ether - Aralkylamine - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-pyridylmethylamines. These are aromatic heterocyclic compounds contaning a pyridine ring which is substituted at the 2-position with a methylamine. |
| External Descriptors | Not available |
| Molecular Weight | 152.190 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 152.095 Da |
| Monoisotopic Mass | 152.095 Da |
| Topological Polar Surface Area | 48.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 108.000 |
| 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 |
