(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine

C10H9BrClNOS — CID 80530831

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H9BrClNOS/c1-5-6(2-3-14-5)9(13)8-4-7(12)10(11)15-8/h2-4,9H,13H2,1H3
InChIKeyJREYBXDALBEWNZ-UHFFFAOYSA-N
MW306.61 g/mol
LogP4.11
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine (PubChem CID 80530831) has the molecular formula C10H9BrClNOS and a molecular weight of 306.61 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine
PubChem CID80530831
Molecular FormulaC10H9BrClNOS
Molecular Weight306.61 g/mol
Exact Mass304.93
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H9BrClNOS/c1-5-6(2-3-14-5)9(13)8-4-7(12)10(11)15-8/h2-4,9H,13H2,1H3
InChIKeyJREYBXDALBEWNZ-UHFFFAOYSA-N
XLogP4.11
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.61
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine (CID 80530831) is (5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine is Cc1occc1C(N)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine?
The InChIKey is JREYBXDALBEWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNOS/c1-5-6(2-3-14-5)9(13)8-4-7(12)10(11)15-8/h2-4,9H,13H2,1H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine has a molecular weight of 306.61 g/mol, XLogP of 4.11, 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)-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 80530831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).