N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine

C16H15Br2NOS — CID 105043923

IUPACN-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2ccccc2o1)c1cc(Br)c(Br)s1
InChIInChI=1S/C16H15Br2NOS/c1-2-7-19-15(14-9-11(17)16(18)21-14)13-8-10-5-3-4-6-12(10)20-13/h3-6,8-9,15,19H,2,7H2,1H3
InChIKeyVPHQBBVZLGWPEO-UHFFFAOYSA-N
MW429.18 g/mol
LogP6.11
Rot. Bonds5

About N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine

N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine (PubChem CID 105043923) has the molecular formula C16H15Br2NOS and a molecular weight of 429.18 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
PubChem CID105043923
Molecular FormulaC16H15Br2NOS
Molecular Weight429.18 g/mol
Exact Mass426.92
IUPAC NameN-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2ccccc2o1)c1cc(Br)c(Br)s1
InChIInChI=1S/C16H15Br2NOS/c1-2-7-19-15(14-9-11(17)16(18)21-14)13-8-10-5-3-4-6-12(10)20-13/h3-6,8-9,15,19H,2,7H2,1H3
InChIKeyVPHQBBVZLGWPEO-UHFFFAOYSA-N
XLogP6.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.18
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 105044180
N-[(4,5-dibromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 80535409
N-[(4,5-dibromothiophen-2-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 80534014
N-[(4,5-dibromothiophen-2-yl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 80532533
N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729081
N-[(4,5-dibromothiophen-2-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 80535599
N-[1-benzothiophen-3-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 80533744
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105044087
N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102651524
N-[(3-chloro-2-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 107096598
N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155911

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine (CID 105043923) is N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cc2ccccc2o1)c1cc(Br)c(Br)s1.
What is the InChIKey of N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine?
The InChIKey is VPHQBBVZLGWPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NOS/c1-2-7-19-15(14-9-11(17)16(18)21-14)13-8-10-5-3-4-6-12(10)20-13/h3-6,8-9,15,19H,2,7H2,1H3.
What are the key properties of N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine?
N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine has a molecular weight of 429.18 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105043923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).