N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine

C17H15Br2NO — CID 105044103

IUPACN-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1cc(Br)ccc1Br
InChIInChI=1S/C17H15Br2NO/c1-2-20-17(13-10-12(18)7-8-14(13)19)16-9-11-5-3-4-6-15(11)21-16/h3-10,17,20H,2H2,1H3
InChIKeyFTGGDDRALDWBCY-UHFFFAOYSA-N
MW409.12 g/mol
LogP5.66
Rot. Bonds4

About N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine

N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine (PubChem CID 105044103) has the molecular formula C17H15Br2NO and a molecular weight of 409.12 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine
PubChem CID105044103
Molecular FormulaC17H15Br2NO
Molecular Weight409.12 g/mol
Exact Mass406.95
IUPAC NameN-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1cc(Br)ccc1Br
InChIInChI=1S/C17H15Br2NO/c1-2-20-17(13-10-12(18)7-8-14(13)19)16-9-11-5-3-4-6-15(11)21-16/h3-10,17,20H,2H2,1H3
InChIKeyFTGGDDRALDWBCY-UHFFFAOYSA-N
XLogP5.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.12
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzofuran-2-yl-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 114906570
N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine
CID 105043926
N-[1-benzofuran-2-yl-(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 114729461
N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106858678
N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 105044180
N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 63091494
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 63091851
N-[(2,5-dibromophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489657
N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43489695
N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine
CID 114730268
[(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338683

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine (CID 105044103) is N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine is CCNC(c1cc2ccccc2o1)c1cc(Br)ccc1Br.
What is the InChIKey of N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine?
The InChIKey is FTGGDDRALDWBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO/c1-2-20-17(13-10-12(18)7-8-14(13)19)16-9-11-5-3-4-6-15(11)21-16/h3-10,17,20H,2H2,1H3.
What are the key properties of N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine?
N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine has a molecular weight of 409.12 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine is sourced from PubChem (CID 105044103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).