2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine

C13H16BrNO2 — CID 44586223

IUPAC2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine
SMILESNCCc1c2c(c(Br)c3c1OCCC3)OCC2
InChIInChI=1S/C13H16BrNO2/c14-11-10-2-1-6-16-12(10)8(3-5-15)9-4-7-17-13(9)11/h1-7,15H2
InChIKeyKMZDCEBLJLWKDZ-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.21
Rot. Bonds2

About 2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine

2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine (PubChem CID 44586223) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine.

Molecular Properties

Compound Name2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine
PubChem CID44586223
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine
SMILESNCCc1c2c(c(Br)c3c1OCCC3)OCC2
InChIInChI=1S/C13H16BrNO2/c14-11-10-2-1-6-16-12(10)8(3-5-15)9-4-7-17-13(9)11/h1-7,15H2
InChIKeyKMZDCEBLJLWKDZ-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine?
The IUPAC name of 2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine (CID 44586223) is 2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine.
What is the SMILES notation for 2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine?
The canonical SMILES for 2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine is NCCc1c2c(c(Br)c3c1OCCC3)OCC2.
What is the InChIKey of 2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine?
The InChIKey is KMZDCEBLJLWKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-11-10-2-1-6-16-12(10)8(3-5-15)9-4-7-17-13(9)11/h1-7,15H2.
What are the key properties of 2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine?
2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine has a molecular weight of 298.18 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine is sourced from PubChem (CID 44586223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).