2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine

C18H24N2O — CID 82752187

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine
SMILESNCC(c1coc2ccccc12)N1CCC2CCCCC21
InChIInChI=1S/C18H24N2O/c19-11-17(15-12-21-18-8-4-2-6-14(15)18)20-10-9-13-5-1-3-7-16(13)20/h2,4,6,8,12-13,16-17H,1,3,5,7,9-11,19H2
InChIKeySPJGUHSXXWVROO-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.70
Rot. Bonds3

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine (PubChem CID 82752187) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine
PubChem CID82752187
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine
SMILESNCC(c1coc2ccccc12)N1CCC2CCCCC21
InChIInChI=1S/C18H24N2O/c19-11-17(15-12-21-18-8-4-2-6-14(15)18)20-10-9-13-5-1-3-7-16(13)20/h2,4,6,8,12-13,16-17H,1,3,5,7,9-11,19H2
InChIKeySPJGUHSXXWVROO-UHFFFAOYSA-N
XLogP3.70
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine (CID 82752187) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine is NCC(c1coc2ccccc12)N1CCC2CCCCC21.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine?
The InChIKey is SPJGUHSXXWVROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c19-11-17(15-12-21-18-8-4-2-6-14(15)18)20-10-9-13-5-1-3-7-16(13)20/h2,4,6,8,12-13,16-17H,1,3,5,7,9-11,19H2.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 82752187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).