2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride

C81H76Cl3F3N8O3 — CID 173262818

About 2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride

2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride (PubChem CID 173262818) has the molecular formula C81H76Cl3F3N8O3 and a molecular weight of 1372.90 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride.

Molecular Properties

• Compound Name: 2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride
• PubChem CID: 173262818
• Molecular Formula: C81H76Cl3F3N8O3
• Molecular Weight: 1372.90 g/mol
• Exact Mass: 1370.51
• IUPAC Name: 2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride
• SMILES: Cl.Cl.Cl.NCCCc1c[nH]c2ccc(-c3cccc4ccccc34)cc12.NCCc1c[nH]c2ccc(-c3cc4ccccc4o3)cc12.NCCc1c[nH]c2ccc(-c3ccc4ccccc4c3)cc12.NCCc1c[nH]c2ccc(-c3cccc4ccccc34)cc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H20N2.2C20H18N2.C18H16N2O.C2HF3O2.3ClH/c22-12-4-7-17-14-23-21-11-10-16(13-20(17)21)19-9-3-6-15-5-1-2-8-18(15)19;21-11-10-16-13-22-20-9-8-15(12-19(16)20)18-7-3-5-14-4-1-2-6-17(14)18;21-10-9-18-13-22-20-8-7-17(12-19(18)20)16-6-5-14-3-1-2-4-15(14)11-16;19-8-7-14-11-20-16-6-5-13(9-15(14)16)18-10-12-3-1-2-4-17(12)21-18;3-2(4,5)1(6)7;;;/h1-3,5-6,8-11,13-14,23H,4,7,12,22H2;1-9,12-13,22H,10-11,21H2;1-8,11-13,22H,9-10,21H2;1-6,9-11,20H,7-8,19H2;(H,6,7);3*1H
• InChIKey: HNZBXXRNKRXIEL-UHFFFAOYSA-N
• XLogP: 19.84
• TPSA: 217.68 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1372.90
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride?

The IUPAC name of 2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride (CID 173262818) is 2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride.

What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride?

The canonical SMILES for 2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride is Cl.Cl.Cl.NCCCc1c[nH]c2ccc(-c3cccc4ccccc34)cc12.NCCc1c[nH]c2ccc(-c3cc4ccccc4o3)cc12.NCCc1c[nH]c2ccc(-c3ccc4ccccc4c3)cc12.NCCc1c[nH]c2ccc(-c3cccc4ccccc34)cc12.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride?

The InChIKey is HNZBXXRNKRXIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2.2C20H18N2.C18H16N2O.C2HF3O2.3ClH/c22-12-4-7-17-14-23-21-11-10-16(13-20(17)21)19-9-3-6-15-5-1-2-8-18(15)19;21-11-10-16-13-22-20-9-8-15(12-19(16)20)18-7-3-5-14-4-1-2-6-17(14)18;21-10-9-18-13-22-20-8-7-17(12-19(18)20)16-6-5-14-3-1-2-4-15(14)11-16;19-8-7-14-11-20-16-6-5-13(9-15(14)16)18-10-12-3-1-2-4-17(12)21-18;3-2(4,5)1(6)7;;;/h1-3,5-6,8-11,13-14,23H,4,7,12,22H2;1-9,12-13,22H,10-11,21H2;1-8,11-13,22H,9-10,21H2;1-6,9-11,20H,7-8,19H2;(H,6,7);3*1H.

What are the key properties of 2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride?

2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride has a molecular weight of 1372.90 g/mol, XLogP of 19.84, 13 rotatable bonds, 9 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1-benzofuran-2-yl)-1H-indol-3-yl]ethanamine;2-(5-naphthalen-1-yl-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-1H-indol-3-yl)ethanamine;3-(5-naphthalen-1-yl-1H-indol-3-yl)propan-1-amine;2,2,2-trifluoroacetic acid;trihydrochloride is sourced from PubChem (CID 173262818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).