Methyl 4-({2-[2-(4-bromobenzyloxy)phenyl]ethylamino}methyl)benzoate

HCID 22014995
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Basic information

Standard SMILES
COC(=O)c1ccc(CNCCc2ccccc2OCc2ccc(Br)cc2)cc1
InChIKey
QUKUOYQNJHCPLP-UHFFFAOYSA-N
Molecular formula
C24H24BrNO3
Average molar mass
454.4 g/mol

Names & identifiers

Preferred name
Methyl 4-({2-[2-(4-bromobenzyloxy)phenyl]ethylamino}methyl)benzoate
IUPAC
methyl 4-[[2-[2-[(4-bromophenyl)methoxy]phenyl]ethylamino]methyl]benzoate

Names & synonyms

SCHEMBL2293341QUKUOYQNJHCPLP-UHFFFAOYSA-Nmethyl 4-[({2-[(4-bromobenzyl)oxy]phenethyl}amino)-methyl]benzoateMethyl 4-({2-[2-(4-bromobenzyloxy)phenyl]ethylamino}methyl)benzoate

Database identifiers

PubChem CID
22014995

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
47.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
29

Related reactions

8 records
New reaction record

Compound notes

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Methyl 4-({2-[2-(4-bromobenzyloxy)phenyl]ethylamino}methyl)benzoate (HCID 22014995)｜Huagongshe