Methyl 3-bromo-5-{[butyl(methyl)amino]methyl}benzoate

HCID 21086161
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Basic information

Standard SMILES
CCCCN(C)Cc1cc(Br)cc(C(=O)OC)c1
InChIKey
RPBHODTXHSILDE-UHFFFAOYSA-N
Molecular formula
C14H20BrNO2
Average molar mass
314.22 g/mol

Names & identifiers

Preferred name
Methyl 3-bromo-5-{[butyl(methyl)amino]methyl}benzoate
IUPAC
methyl 3-bromo-5-[[butyl(methyl)amino]methyl]benzoate

Names & synonyms

SCHEMBL3351506RPBHODTXHSILDE-UHFFFAOYSA-NMethyl 3-bromo-5-{[butyl(methyl)amino]methyl}benzoate

Database identifiers

PubChem CID
21086161

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
18

Related reactions

9 records
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Compound notes

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