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

C17H16N2O — CID 95220358

IUPAC[(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2cccc(-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/t14-/m1/s1
InChIKeyFJJVPHHQYJTRAZ-CQSZACIVSA-N
MW264.33 g/mol
LogP3.10
Rot. Bonds2

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

[(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95220358) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is [(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95220358
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name[(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2cccc(-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/t14-/m1/s1
InChIKeyFJJVPHHQYJTRAZ-CQSZACIVSA-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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Related Compounds

5-Methoxytryptamine
CID 1833
O-Methylbufotenine
CID 1832
Idalopirdine
CID 21071390
Bucindolol
CID 51045
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551
5-Methoxy-N-Methyltryptamine
CID 16184
GR 46611
CID 6160690
5-Methoxy-N,N-dipropyl-1H-indole-3-ethanamine
CID 14011047

Frequently Asked Questions

What is the IUPAC name of [(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95220358) is [(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@H]1Cc2cccc(-c3ccc4[nH]ccc4c3)c2O1.
What is the InChIKey of [(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is FJJVPHHQYJTRAZ-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of [(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-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 [(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95220358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).