Basic information
- CAS
222733-86-0- Standard SMILES
CC(C)(C)c1ccc2[nH]cc(CCN)c2c1- InChIKey
IUCZXQIDXFHTHA-UHFFFAOYSA-N- Molecular formula
- C14H20N2
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.16264865
Names & identifiers
- Preferred name
- 5-Tert-butyltryptamine
- IUPAC
- 2-(5-tert-butyl-1H-indol-3-yl)ethanamine
- English name
- 5-TERT-BUTYLTRYPTAMINE
- Molecular formula
- C14H20N2
- Molecular weight
- 216.32
Names & synonyms
5-TERT-BUTYLTRYPTAMINE222733-86-02-(5-tert-butyl-1H-indol-3-yl)ethanamineCHEMBL4443412-(5-tert-butyl-1H-indol-3-yl)ethan-1-amineSCHEMBL7853204DTXSID10376405XIA73386BDBM50073684DB-0811902-(5-tert-Butyl-1H-indol-3-yl)-ethylamine1H-Indole-3-ethanamine, 5-(1,1-dimethylethyl)-
Database identifiers
- CAS
222733-86-0- PubChem CID
- 2762736
- DTXSID
DTXSID10376405- ChEMBL
CHEMBL444341- Nikkaji
- J1.081.383B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Chemistry & industry
Suppliers1 total
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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