(5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine

C13H10BrNOS — CID 43149588

IUPAC(5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
SMILESNC(c1cc2cc(Br)ccc2o1)c1cccs1
InChIInChI=1S/C13H10BrNOS/c14-9-3-4-10-8(6-9)7-11(16-10)13(15)12-2-1-5-17-12/h1-7,13H,15H2
InChIKeyHQBKFSDIICLZNL-UHFFFAOYSA-N
MW308.20 g/mol
LogP4.30
Rot. Bonds2

About (5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine

(5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine (PubChem CID 43149588) has the molecular formula C13H10BrNOS and a molecular weight of 308.20 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
PubChem CID43149588
Molecular FormulaC13H10BrNOS
Molecular Weight308.20 g/mol
Exact Mass306.97
IUPAC Name(5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
SMILESNC(c1cc2cc(Br)ccc2o1)c1cccs1
InChIInChI=1S/C13H10BrNOS/c14-9-3-4-10-8(6-9)7-11(16-10)13(15)12-2-1-5-17-12/h1-7,13H,15H2
InChIKeyHQBKFSDIICLZNL-UHFFFAOYSA-N
XLogP4.30
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl-(5-bromo-1-benzofuran-2-yl)methanamine
CID 114910339
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine
CID 130713073
(R)-(5-bromo-2-chlorophenyl)-thiophen-2-ylmethanamine
CID 171223566
(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43149570
(3,5-dibromophenyl)-thiophen-2-ylmethanamine
CID 107973859
5-bromo-2-(1-bromoethyl)-1-benzofuran
CID 43141444
(5-bromo-1,3-benzothiazol-2-yl)-thiophen-2-ylmethanamine
CID 115284850
1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727611
1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
CID 105043963

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine (CID 43149588) is (5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine is NC(c1cc2cc(Br)ccc2o1)c1cccs1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine?
The InChIKey is HQBKFSDIICLZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNOS/c14-9-3-4-10-8(6-9)7-11(16-10)13(15)12-2-1-5-17-12/h1-7,13H,15H2.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine?
(5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine has a molecular weight of 308.20 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 43149588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).