| Canonical Smiles | C1COCCN1CCN2C=CC3=C2C=CC(=C3)N |
|---|---|
| IUPAC Name | 1-(2-morpholin-4-ylethyl)indol-5-amine |
| InChIKey | DYDIXKXTRPCMCF-UHFFFAOYSA-N |
| INCHI | 1S/C14H19N3O/c15-13-1-2-14-12(11-13)3-4-17(14)6-5-16-7-9-18-10-8-16/h1-4,11H,5-10,15H2 |
| Isomeric SMILES | C1COCCN1CCN2C=CC3=C2C=CC(=C3)N |
| PubChem CID | 43165355 |
| Molecular Weight | 245.32 |
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 | N-alkylindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-alkylindoles |
| Alternative Parents | Indoles Substituted pyrroles Morpholines Benzenoids Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-alkylindole - Indole - Morpholine - Oxazinane - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Dialkyl ether - Oxacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position. |
| External Descriptors | Not available |
| Molecular Weight | 245.320 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 245.153 Da |
| Monoisotopic Mass | 245.153 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 268.000 |
| 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 |
