1,2-Dimethyl-3-phenyl-1h-indole
Basic information
- CAS
38445-36-2- Standard SMILES
Cc1c(-c2ccccc2)c2ccccc2n1C- InChIKey
KAHXOUCASDDHSW-UHFFFAOYSA-N- Molecular formula
- C16H15N
- Average molar mass
- 221.3 g/mol
- Monoisotopic mass
- 221.12044948
Names & identifiers
- Preferred name
- 1,2-Dimethyl-3-phenyl-1h-indole
- IUPAC
- 1,2-dimethyl-3-phenylindole
Names & synonyms
1,2-dimethyl-3-phenyl-1h-indole38445-36-21,2-dimethyl-3-phenylindoleNSC123996SCHEMBL26168119SCHEMBL29634190DTXSID70959334AKOS004907382NSC-123996
Database identifiers
- CAS
38445-36-2- PubChem CID
- 276307
- DTXSID
DTXSID70959334- Nikkaji
- J1.805.072B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
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Compound notes
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