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Compound
3-(3-Phenyl-1-propenyl)aniline
HCID
54042989
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Nc1cccc(C=CCc2ccccc2)c1
InChIKey
LNQUMGNVIZMNHR-UHFFFAOYSA-N
Molecular formula
C15H15N
Average molar mass
209.29 g/mol
Monoisotopic mass
209.12044948
Names & identifiers
Preferred name
3-(3-Phenyl-1-propenyl)aniline
IUPAC
3-(3-phenylprop-1-enyl)aniline
Names & synonyms
SCHEMBL11111387
3-(3-phenyl-1-propenyl)aniline
LNQUMGNVIZMNHR-UHFFFAOYSA-N
Database identifiers
PubChem CID
54042989
Properties
Computed structural properties
XLogP
3.8
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
215
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
1224784
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1903651
As product
uspto-grants-1984_03
HRID
1903652
As reactant
uspto-grants-1984_03
Compound notes
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