[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-ylmethyl]-phenethyl-amine

HCID 66577243
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Basic information

Standard SMILES
Cc1noc(-c2ccc(Br)cc2)c1CNCCc1ccccc1
InChIKey
QUQPXSQWRFMHCP-UHFFFAOYSA-N
Molecular formula
C19H19BrN2O
Average molar mass
371.3 g/mol
Monoisotopic mass
370.06808

Names & identifiers

Preferred name
[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-ylmethyl]-phenethyl-amine
IUPAC
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-2-phenylethanamine

Names & synonyms

SCHEMBL1347QUQPXSQWRFMHCP-UHFFFAOYSA-N[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-ylmethyl]-phenethyl-amine

Database identifiers

PubChem CID
66577243

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
38.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
23

Related reactions

7 records
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Compound notes

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