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Compound
7-[(3-fluorophenyl)methoxy]-2,3,4,5-tetrahydro-1H-3-benzazepine
HCID
21080183
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Fc1cccc(COc2ccc3c(c2)CCNCC3)c1
InChIKey
SBYUKOWPBGYFQG-UHFFFAOYSA-N
Molecular formula
C17H18FNO
Average molar mass
271.33 g/mol
Names & identifiers
Preferred name
7-[(3-fluorophenyl)methoxy]-2,3,4,5-tetrahydro-1H-3-benzazepine
IUPAC
7-[(3-fluorophenyl)methoxy]-2,3,4,5-tetrahydro-1H-3-benzazepine
Names & synonyms
SCHEMBL5045262
Database identifiers
PubChem CID
21080183
Properties
Computed structural properties
XLogP
3.4
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
299
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Related reactions
4 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
114331
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
176317
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
180752
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
1151318
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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