[7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C17H16N2O — CID 56711734

IUPAC[7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cccc(-c3ccc4[nH]ccc4c3)c2O1
InChIInChI=1S/C17H16N2O/c18-10-14-9-13-2-1-3-15(17(13)20-14)11-4-5-16-12(8-11)6-7-19-16/h1-8,14,19H,9-10,18H2
InChIKeyFJJVPHHQYJTRAZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.10
Rot. Bonds2

About [7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 56711734) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is [7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID56711734
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name[7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cccc(-c3ccc4[nH]ccc4c3)c2O1
InChIInChI=1S/C17H16N2O/c18-10-14-9-13-2-1-3-15(17(13)20-14)11-4-5-16-12(8-11)6-7-19-16/h1-8,14,19H,9-10,18H2
InChIKeyFJJVPHHQYJTRAZ-UHFFFAOYSA-N
XLogP3.10
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 56711734) is [7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2cccc(-c3ccc4[nH]ccc4c3)c2O1.
What is the InChIKey of [7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is FJJVPHHQYJTRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-10-14-9-13-2-1-3-15(17(13)20-14)11-4-5-16-12(8-11)6-7-19-16/h1-8,14,19H,9-10,18H2.
What are the key properties of [7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 264.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 56711734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).