1,2-Dimethyl-1H-indole-3-ethylamine
Basic information
- CAS
17726-03-3- Standard SMILES
Cc1c(CCN)c2ccccc2n1C- InChIKey
KBEZJUQXXJDBDZ-UHFFFAOYSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134852
Names & identifiers
- Preferred name
- 1,2-Dimethyl-1H-indole-3-ethylamine
- IUPAC
- 2-(1,2-dimethylindol-3-yl)ethanamine
- English name
- 1,2-dimethyl-1H-indole-3-ethylamine
- Molecular formula
- C12H16N2
- Molecular weight
- 188.27
Names & synonyms
17726-03-31,2-Dimethyl-1H-indole-3-ethylamine2-(1,2-Dimethyl-1H-indol-3-yl)ethanamine2-(1,2-dimethylindol-3-yl)ethanamine2-(1,2-dimethyl-1H-indol-3-yl)ethan-1-amine2-(1,2-Dimethyl-1H-indol-3-yl)-ethylamine1H-Indole-3-ethanamine, 1,2-dimethyl-1,2-Dimethyltryptamine2-(1,2-dimethylindol-3-yl)ethylamineEINECS 241-721-21H-Indole-3-ethanamine,1,2-dimethyl-ChemDiv2_005274
Show more names
1,2-Dimethyl-1H-indole-3-(ethanamine)3-(2-Aminoethyl)-1,2-dimethyl-1H-indole1,2-Dimethyl-3-(2-aminoethyl)-1H-indole
Oprea1_653698SCHEMBL335711dimethyl-1 H-indol-3-ethanamidDTXSID80170275HMS1383P16ALBB-027942SBB012645STK114752
Database identifiers
- CAS
17726-03-3- PubChem CID
- 87270
- DTXSID
DTXSID80170275- EC Number
- 241-721-2
- Nikkaji
- J46.792H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 31 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 348 · 348.0±27.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 9.72 · 9.72±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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