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2-(3-Chlorophenyl)-1-(4-chlorophenyl)but-3-en-1-amine

HCID 76834375
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CC(c1cccc(Cl)c1)C(N)c1ccc(Cl)cc1
InChIKey
FSGVXSLICVZDLL-UHFFFAOYSA-N
Molecular formula
C16H15Cl2N
Average molar mass
292.2 g/mol

Names & identifiers

Preferred name
2-(3-Chlorophenyl)-1-(4-chlorophenyl)but-3-en-1-amine
IUPAC
2-(3-chlorophenyl)-1-(4-chlorophenyl)but-3-en-1-amine

Names & synonyms

SCHEMBL23494876

Database identifiers

PubChem CID
76834375

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
286

Related reactions

3 records
New reaction record
HRID 106372 reaction equation
HRID 106372As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 289619 reaction equation
HRID 289619As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 673402 reaction equation
HRID 673402As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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