| Canonical Smiles | CC(C)(C)C1=CC2=C(C=C1)NCC2 |
|---|---|
| IUPAC Name | 5-tert-butyl-2,3-dihydro-1H-indole |
| InChIKey | DCWWFXGCBMZVFC-UHFFFAOYSA-N |
| INCHI | 1S/C12H17N/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h4-5,8,13H,6-7H2,1-3H3 |
| Molecular Weight | 175.27 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Secondary alkylarylamines Aralkylamines Benzenoids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| External Descriptors | Not available |
| Molecular Weight | 175.270 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 175.136 Da |
| Monoisotopic Mass | 175.136 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 180.000 |
| 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 |
