3-acetyl-8-bromo-7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

HCID 21242889
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Basic information

Standard SMILES
COc1cc2c(cc1Br)CCN(C(C)=O)CC2
InChIKey
ZWVLCYBGEDEMPS-UHFFFAOYSA-N
Molecular formula
C13H16BrNO2
Average molar mass
298.18 g/mol
Monoisotopic mass
297.03644

Names & identifiers

Preferred name
3-acetyl-8-bromo-7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
IUPAC
1-(7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone

Names & synonyms

SCHEMBL10350524ZWVLCYBGEDEMPS-UHFFFAOYSA-N3-acetyl-8-bromo-7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

Database identifiers

PubChem CID
21242889

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
17

Related reactions

2 records
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Compound notes

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