1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine

C13H10BrNO2 — CID 63944229

IUPAC1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine
SMILESNC(c1cc2ccccc2o1)c1occc1Br
InChIInChI=1S/C13H10BrNO2/c14-9-5-6-16-13(9)12(15)11-7-8-3-1-2-4-10(8)17-11/h1-7,12H,15H2
InChIKeyXXDXECJQENQPNT-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.84
Rot. Bonds2

About 1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine

1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine (PubChem CID 63944229) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine
PubChem CID63944229
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine
SMILESNC(c1cc2ccccc2o1)c1occc1Br
InChIInChI=1S/C13H10BrNO2/c14-9-5-6-16-13(9)12(15)11-7-8-3-1-2-4-10(8)17-11/h1-7,12H,15H2
InChIKeyXXDXECJQENQPNT-UHFFFAOYSA-N
XLogP3.84
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine
CID 105044197
(3-bromofuran-2-yl)-quinolin-2-ylmethanamine
CID 63941679
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106762492
1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
CID 105043963
(3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine
CID 105150602
1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
CID 106693169
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
CID 63942832
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 114728145
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine (CID 63944229) is 1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine is NC(c1cc2ccccc2o1)c1occc1Br.
What is the InChIKey of 1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine?
The InChIKey is XXDXECJQENQPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c14-9-5-6-16-13(9)12(15)11-7-8-3-1-2-4-10(8)17-11/h1-7,12H,15H2.
What are the key properties of 1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine?
1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine has a molecular weight of 292.13 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine is sourced from PubChem (CID 63944229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).