3-(2-phenylethyl)-1H-indole
Basic information
- CAS
5192-14-3- Standard SMILES
c1ccc(CCc2c[nH]c3ccccc23)cc1- InChIKey
CEGFYUILHMIKCP-UHFFFAOYSA-N- Molecular formula
- C16H15N
- Average molar mass
- 221.3 g/mol
- Monoisotopic mass
- 221.12044948
Names & identifiers
- Preferred name
- 3-(2-phenylethyl)-1H-indole
- IUPAC
- 3-(2-phenylethyl)-1H-indole
Names & synonyms
NSC4059645192-14-33-(2-phenylethyl)-1H-indole3-phenylethylindoleSCHEMBL1959662SCHEMBL7263795SCHEMBL8524609SCHEMBL27805046DTXSID80324175NSC-405964
Database identifiers
- CAS
5192-14-3- PubChem CID
- 347330
- DTXSID
DTXSID80324175- Nikkaji
- J3.247.497G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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