1-Benzyl-5-bromo-3-[2-(dimethylamino)ethyl]-1h-indole

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Basic information

Standard SMILES: CN(C)CCc1cn(Cc2ccccc2)c2ccc(Br)cc12
InChIKey: CNYFVIPSWKTWPM-UHFFFAOYSA-N
Molecular formula: C19H21BrN2
Average molar mass: 357.3 g/mol

Names & identifiers

Preferred name: 1-Benzyl-5-bromo-3-[2-(dimethylamino)ethyl]-1h-indole
IUPAC: 2-(1-benzyl-5-bromoindol-3-yl)-N,N-dimethylethanamine

Names & synonyms

SCHEMBL1751353CNYFVIPSWKTWPM-UHFFFAOYSA-N1-benzyl-5-bromo-3-[2-(dimethylamino)ethyl]-1h-indole2-(1-benzyl-5-bromo-1h-indol-3-yl)-N,N-dimethylethanamine

Database identifiers

PubChem CID: 10247729

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 8.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 340

Related reactions

1 records

New reaction record

HRID 651716As reactantuspto-grants-2001_08

Compound notes

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