N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine

C15H12Br2FNOS — CID 107969207

IUPACN-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(F)c2o1)c1cc(Br)sc1Br
InChIInChI=1S/C15H12Br2FNOS/c1-2-19-13(9-7-12(16)21-15(9)17)11-6-8-4-3-5-10(18)14(8)20-11/h3-7,13,19H,2H2,1H3
InChIKeyBNOAQZUFHOFHDJ-UHFFFAOYSA-N
MW433.14 g/mol
LogP5.86
Rot. Bonds4

About N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine

N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 107969207) has the molecular formula C15H12Br2FNOS and a molecular weight of 433.14 g/mol. Its IUPAC name is N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID107969207
Molecular FormulaC15H12Br2FNOS
Molecular Weight433.14 g/mol
Exact Mass430.90
IUPAC NameN-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(F)c2o1)c1cc(Br)sc1Br
InChIInChI=1S/C15H12Br2FNOS/c1-2-19-13(9-7-12(16)21-15(9)17)11-6-8-4-3-5-10(18)14(8)20-11/h3-7,13,19H,2H2,1H3
InChIKeyBNOAQZUFHOFHDJ-UHFFFAOYSA-N
XLogP5.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.14
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 114730249
N-[(4-ethylthiadiazol-5-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105186543
N-[(2,5-dibromothiophen-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43493210
N-[(7-fluoro-1-benzofuran-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105047600
N-[(3-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107950429
N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 114728628
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114728677
N-[(3-bromo-2,6-difluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107969508
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 114730743
N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105047452
N-[(2-chloro-4,5-difluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107961474
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine (CID 107969207) is N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine is CCNC(c1cc2cccc(F)c2o1)c1cc(Br)sc1Br.
What is the InChIKey of N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is BNOAQZUFHOFHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNOS/c1-2-19-13(9-7-12(16)21-15(9)17)11-6-8-4-3-5-10(18)14(8)20-11/h3-7,13,19H,2H2,1H3.
What are the key properties of N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine?
N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 433.14 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromothiophen-3-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 107969207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).