N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine

C16H15BrClNOS — CID 105173567

IUPACN-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(Br)c2o1)c1ccc(Cl)s1
InChIInChI=1S/C16H15BrClNOS/c1-2-8-19-15(13-6-7-14(18)21-13)12-9-10-4-3-5-11(17)16(10)20-12/h3-7,9,15,19H,2,8H2,1H3
InChIKeyHWOKDMROLPSCCM-UHFFFAOYSA-N
MW384.73 g/mol
LogP6.00
Rot. Bonds5

About N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine

N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine (PubChem CID 105173567) has the molecular formula C16H15BrClNOS and a molecular weight of 384.73 g/mol. Its IUPAC name is N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
PubChem CID105173567
Molecular FormulaC16H15BrClNOS
Molecular Weight384.73 g/mol
Exact Mass382.97
IUPAC NameN-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cccc(Br)c2o1)c1ccc(Cl)s1
InChIInChI=1S/C16H15BrClNOS/c1-2-8-19-15(13-6-7-14(18)21-13)12-9-10-4-3-5-11(17)16(10)20-12/h3-7,9,15,19H,2,8H2,1H3
InChIKeyHWOKDMROLPSCCM-UHFFFAOYSA-N
XLogP6.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.73
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045996
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105162184
N-[(2-bromo-5-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 43497043
[1-(7-bromo-1-benzofuran-2-yl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105295913
1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine
CID 105177238
N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
CID 105081278
N-[(5-chlorothiophen-2-yl)-(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43496935
N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 105043923
N-[(3-bromo-4-ethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 104657731
1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105182757
N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105047452
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine (CID 105173567) is N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cc2cccc(Br)c2o1)c1ccc(Cl)s1.
What is the InChIKey of N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine?
The InChIKey is HWOKDMROLPSCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNOS/c1-2-8-19-15(13-6-7-14(18)21-13)12-9-10-4-3-5-11(17)16(10)20-12/h3-7,9,15,19H,2,8H2,1H3.
What are the key properties of N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine?
N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine has a molecular weight of 384.73 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105173567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).