Basic information
- CAS
35246-18-5- Standard SMILES
CCc1c(C)[nH]c2ccccc12- InChIKey
UTFUFZSBOJRSGN-UHFFFAOYSA-N- Molecular formula
- C11H13N
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.10479942
Names & identifiers
- Preferred name
- 1H-Indole, 3-ethyl-2-methyl-
- IUPAC
- 3-ethyl-2-methyl-1H-indole
Names & synonyms
1H-Indole, 3-ethyl-2-methyl-35246-18-5DTXSID50188741RefChem:238809DTXCID101112323-ethyl-2-methyl-1H-indole2-methyl-3-ethylindole3-ethyl-2-methyl indoleSCHEMBL669111SCHEMBL4423600SCHEMBL9539762AKOS000445979
Database identifiers
- CAS
35246-18-5- PubChem CID
- 141985
- DTXSID
DTXSID50188741- Nikkaji
- J634.220E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Related reactions
1 records
Compound notes
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