(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine

C15H14BrNO2 — CID 43149570

IUPAC(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2cc3cc(Br)ccc3o2)c(C)o1
InChIInChI=1S/C15H14BrNO2/c1-8-5-12(9(2)18-8)15(17)14-7-10-6-11(16)3-4-13(10)19-14/h3-7,15H,17H2,1-2H3
InChIKeyDCXBOQSGUSJPOU-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.45
Rot. Bonds2

About (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine

(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 43149570) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID43149570
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2cc3cc(Br)ccc3o2)c(C)o1
InChIInChI=1S/C15H14BrNO2/c1-8-5-12(9(2)18-8)15(17)14-7-10-6-11(16)3-4-13(10)19-14/h3-7,15H,17H2,1-2H3
InChIKeyDCXBOQSGUSJPOU-UHFFFAOYSA-N
XLogP4.45
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 102949424
(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 82971197
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
5-bromo-2-(1-bromoethyl)-1-benzofuran
CID 43141444
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
(2-bromo-4-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107987487
(5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
CID 43149588
(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine
CID 130713073

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine (CID 43149570) is (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)c2cc3cc(Br)ccc3o2)c(C)o1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is DCXBOQSGUSJPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-8-5-12(9(2)18-8)15(17)14-7-10-6-11(16)3-4-13(10)19-14/h3-7,15H,17H2,1-2H3.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 320.19 g/mol, XLogP of 4.45, 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)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 43149570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).