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[3-(2-Bromo-4,5-difluorobenzyloxy)propyl]dimethylamine

HCID 66836744
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(C)CCCOCc1cc(F)c(F)cc1Br
InChIKey
AJNPCJREJLSMRV-UHFFFAOYSA-N
Molecular formula
C12H16BrF2NO
Average molar mass
308.16 g/mol

Names & identifiers

Preferred name
[3-(2-Bromo-4,5-difluorobenzyloxy)propyl]dimethylamine
IUPAC
3-[(2-bromo-4,5-difluorophenyl)methoxy]-N,N-dimethylpropan-1-amine

Names & synonyms

SCHEMBL902336AJNPCJREJLSMRV-UHFFFAOYSA-N[3-(2-bromo-4,5-difluorobenzyloxy)propyl]dimethylamine

Database identifiers

PubChem CID
66836744

Properties

Computed structural propertiesFilling in

XLogP
2.9
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
17
Formal charge
0
Complexity
219

Related reactions

1 records
New reaction record
HRID 1631111 reaction equation
HRID 1631111As reactantuspto-grants-2014_07

Compound notes

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