1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride

C13H17BrClNO2 — CID 75295898

IUPAC1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2.Cl
InChIInChI=1S/C13H16BrNO2.ClH/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10;/h7H,2-6,15H2,1H3;1H
InChIKeyOOXVNBHFUWKZMY-UHFFFAOYSA-N
MW334.64 g/mol
LogP2.63
Rot. Bonds2

About 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride

1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride (PubChem CID 75295898) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride
PubChem CID75295898
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2.Cl
InChIInChI=1S/C13H16BrNO2.ClH/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10;/h7H,2-6,15H2,1H3;1H
InChIKeyOOXVNBHFUWKZMY-UHFFFAOYSA-N
XLogP2.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride (CID 75295898) is 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride is CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2.Cl.
What is the InChIKey of 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride?
The InChIKey is OOXVNBHFUWKZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2.ClH/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10;/h7H,2-6,15H2,1H3;1H.
What are the key properties of 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride?
1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride has a molecular weight of 334.64 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 75295898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).