N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine

C₂₀H₁₈N₂O — CID 155527359

About N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine

N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine (PubChem CID 155527359) has the molecular formula C₂₀H₁₈N₂O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine.

Molecular Properties

• Compound Name: N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine
• PubChem CID: 155527359
• Molecular Formula: C₂₀H₁₈N₂O
• Molecular Weight: 302.38 g/mol
• Exact Mass: 302.14
• IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine
• SMILES: c1ccc(-c2ccc(NCCc3c[nH]c4ccccc34)o2)cc1
• InChI: InChI=1S/C20H18N2O/c1-2-6-15(7-3-1)19-10-11-20(23-19)21-13-12-16-14-22-18-9-5-4-8-17(16)18/h1-11,14,21-22H,12-13H2
• InChIKey: QGIQUDBPNFPCQF-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 40.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	302.38
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine?

The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine (CID 155527359) is N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine.

What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine?

The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine is c1ccc(-c2ccc(NCCc3c[nH]c4ccccc34)o2)cc1.

What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine?

The InChIKey is QGIQUDBPNFPCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-2-6-15(7-3-1)19-10-11-20(23-19)21-13-12-16-14-22-18-9-5-4-8-17(16)18/h1-11,14,21-22H,12-13H2.

What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine?

N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine has a molecular weight of 302.38 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-yl)ethyl]-5-phenylfuran-2-amine is sourced from PubChem (CID 155527359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155527359 — identifiers, structure, computed properties (public domain)

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