5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine

C13H16BrNO — CID 104544159

IUPAC5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine
SMILESCC1(C)CC(N)c2c(Br)cc3c(c21)OCC3
InChIInChI=1S/C13H16BrNO/c1-13(2)6-9(15)10-8(14)5-7-3-4-16-12(7)11(10)13/h5,9H,3-4,6,15H2,1-2H3
InChIKeyYZZSHIUJMSIONA-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.07
Rot. Bonds

About 5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine

5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine (PubChem CID 104544159) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine.

Molecular Properties

Compound Name5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine
PubChem CID104544159
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine
SMILESCC1(C)CC(N)c2c(Br)cc3c(c21)OCC3
InChIInChI=1S/C13H16BrNO/c1-13(2)6-9(15)10-8(14)5-7-3-4-16-12(7)11(10)13/h5,9H,3-4,6,15H2,1-2H3
InChIKeyYZZSHIUJMSIONA-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine?
The IUPAC name of 5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine (CID 104544159) is 5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine.
What is the SMILES notation for 5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine?
The canonical SMILES for 5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine is CC1(C)CC(N)c2c(Br)cc3c(c21)OCC3.
What is the InChIKey of 5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine?
The InChIKey is YZZSHIUJMSIONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-13(2)6-9(15)10-8(14)5-7-3-4-16-12(7)11(10)13/h5,9H,3-4,6,15H2,1-2H3.
What are the key properties of 5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine?
5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine has a molecular weight of 282.18 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8,8-dimethyl-2,3,6,7-tetrahydrocyclopenta[g][1]benzofuran-6-amine is sourced from PubChem (CID 104544159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).