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

C16H16BrNO2 — CID 102949424

IUPAC(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2oc3cc(Br)ccc3c2C)c(C)o1
InChIInChI=1S/C16H16BrNO2/c1-8-6-13(10(3)19-8)15(18)16-9(2)12-5-4-11(17)7-14(12)20-16/h4-7,15H,18H2,1-3H3
InChIKeyKFXIFNPCAJZCOA-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.76
Rot. Bonds2

About (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine

(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 102949424) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID102949424
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2oc3cc(Br)ccc3c2C)c(C)o1
InChIInChI=1S/C16H16BrNO2/c1-8-6-13(10(3)19-8)15(18)16-9(2)12-5-4-11(17)7-14(12)20-16/h4-7,15H,18H2,1-3H3
InChIKeyKFXIFNPCAJZCOA-UHFFFAOYSA-N
XLogP4.76
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
CID 102949457
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine
CID 102949449
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 62073231
(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43149570
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine
CID 102949451
(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 102949445
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine
CID 43149723
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
CID 43149738
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine
CID 104653863
(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 43149528
(6-bromo-2-methyl-1-benzofuran-3-yl)methanamine
CID 83912563
(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 81472595

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine (CID 102949424) is (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)c2oc3cc(Br)ccc3c2C)c(C)o1.
What is the InChIKey of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is KFXIFNPCAJZCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-8-6-13(10(3)19-8)15(18)16-9(2)12-5-4-11(17)7-14(12)20-16/h4-7,15H,18H2,1-3H3.
What are the key properties of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 334.21 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 102949424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).