Allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine

HCID 447559
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Basic information

Standard SMILES
C=CCN(C)C/C=C/COc1ccc2c(-c3ccc(Br)cc3)coc2c1
InChIKey
KCNKJCHARANTIP-SNAWJCMRSA-N
Molecular formula
C22H22BrNO2
Average molar mass
412.3 g/mol
Monoisotopic mass
411.08339

Names & identifiers

Preferred name
Allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine
IUPAC
(E)-4-[[3-(4-bromophenyl)-1-benzofuran-6-yl]oxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine

Names & synonyms

ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-BUT-2-ENYL}-METHYL-AMINEAllyl-(4-(3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy)-but-2-Enyl)-Methyl-Amine((2E)-4-((3-(4-bromophenyl)-1-benzofuran-6-yl)oxy)but-2-en-1-yl)(methyl)(prop-2-en-1-yl)amine[(2E)-4-{[3-(4-bromophenyl)-1-benzofuran-6-yl]oxy}but-2-en-1-yl](methyl)(prop-2-en-1-yl)amineRefChem:110899CHEMBL65553R171o6qSCHEMBL4314973KCNKJCHARANTIP-SNAWJCMRSA-NBDBM50128056DB03771
Show more names
PD007251NS00068932Q27094668(E)-allyl-[4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl]-methyl-amine(E)-N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy)-N-methylbut-2-en-1-aminiumN-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy)-N-methylbut-2-en-1-aminium(2E)-4-{[3-(4-bromophenyl)-1-benzofuran-6-yl]oxy}-N-methyl-N-prop-2-en-1-ylbut-2-en-1-amine

Database identifiers

PubChem CID
447559
ChEMBL
CHEMBL65553

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
25.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
26

Related reactions

1 records
New reaction record

Compound notes

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