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1-[2-(5-Bromo-1-benzofuran-2-yl)ethyl]-2-methylpyrrolidine

HCID 22274547
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1CCCN1CCc1cc2cc(Br)ccc2o1
InChIKey
VTKKXXQRBFNDRN-UHFFFAOYSA-N
Molecular formula
C15H18BrNO
Average molar mass
308.21 g/mol

Names & identifiers

Preferred name
1-[2-(5-Bromo-1-benzofuran-2-yl)ethyl]-2-methylpyrrolidine
IUPAC
1-[2-(5-bromo-1-benzofuran-2-yl)ethyl]-2-methylpyrrolidine

Names & synonyms

SCHEMBL7142017

Database identifiers

PubChem CID
22274547

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
16.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
286

Related reactions

4 records
New reaction record
HRID 89425 reaction equation
HRID 89425As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1143747 reaction equation
HRID 1143747As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1201330 reaction equation
HRID 1201330As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2131134 reaction equation
HRID 2131134As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes