(5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine

C9H6BrCl2NOS — CID 106684530

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
SMILESNC(c1ccc(Cl)o1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H6BrCl2NOS/c10-9-4(11)3-6(15-9)8(13)5-1-2-7(12)14-5/h1-3,8H,13H2
InChIKeyFGNIRBQUIPSDLK-UHFFFAOYSA-N
MW327.03 g/mol
LogP4.46
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine (PubChem CID 106684530) has the molecular formula C9H6BrCl2NOS and a molecular weight of 327.03 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
PubChem CID106684530
Molecular FormulaC9H6BrCl2NOS
Molecular Weight327.03 g/mol
Exact Mass324.87
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
SMILESNC(c1ccc(Cl)o1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H6BrCl2NOS/c10-9-4(11)3-6(15-9)8(13)5-1-2-7(12)14-5/h1-3,8H,13H2
InChIKeyFGNIRBQUIPSDLK-UHFFFAOYSA-N
XLogP4.46
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.03
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran
CID 106689187
(5-bromothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
CID 106684358
2-[bromo-(4,5-dibromothiophen-2-yl)methyl]-5-chlorofuran
CID 106689189
(5-bromo-4-chlorothiophen-2-yl)-(3-bromothiophen-2-yl)methanamine
CID 80530685
(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine
CID 80530831
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 80530924
(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
CID 80530680
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106861118
(5-bromo-4-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanamine
CID 80531065
1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanamine
CID 80530877
(5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 80530682
(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814808

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine (CID 106684530) is (5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine is NC(c1ccc(Cl)o1)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine?
The InChIKey is FGNIRBQUIPSDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl2NOS/c10-9-4(11)3-6(15-9)8(13)5-1-2-7(12)14-5/h1-3,8H,13H2.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine has a molecular weight of 327.03 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine is sourced from PubChem (CID 106684530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).