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7-[(3-fluorophenyl)methoxy]-2,3,4,5-tetrahydro-1H-3-benzazepine

HCID 21080183
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

4 records
New reaction record
HRID 114331 reaction equation
HRID 114331As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 176317 reaction equation
HRID 176317As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 180752 reaction equation
HRID 180752As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1151318 reaction equation
HRID 1151318As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes