2-[(4-Bromophenoxy)methyl]-3-(ethoxymethyl)-1-methyl-1H-indole
Basic information
- CAS
54186-16-2- Standard SMILES
CCOCc1c(COc2ccc(Br)cc2)n(C)c2ccccc12- InChIKey
HIVLRWOTEULGNF-UHFFFAOYSA-N- Molecular formula
- C19H20BrNO2
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 373.06774
Names & identifiers
- Preferred name
- 2-[(4-Bromophenoxy)methyl]-3-(ethoxymethyl)-1-methyl-1H-indole
- IUPAC
- 2-[(4-bromophenoxy)methyl]-3-(ethoxymethyl)-1-methylindole
Names & synonyms
54186-16-2NSC234201DTXSID503109092-[(4-Bromophenoxy)methyl]-3-(ethoxymethyl)-1-methyl-1H-indoleNSC-234201
Database identifiers
- CAS
54186-16-2- PubChem CID
- 314716
- DTXSID
DTXSID50310909
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 23.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 359
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Compound notes
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