tert-butyl 6-bromo-8-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

HCID 132189892
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCc2cc(Br)cc(OCc3ccccc3)c2C1
InChIKey
JEZYVWYYQYVBLP-UHFFFAOYSA-N
Molecular formula
C21H24BrNO3
Average molar mass
418.3 g/mol

Names & identifiers

Preferred name
tert-butyl 6-bromo-8-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
IUPAC
tert-butyl 6-bromo-8-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Names & synonyms

SCHEMBL19667142SCHEMBL30207857

Database identifiers

PubChem CID
132189892

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
26

Related reactions

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Linked notes

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