4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol

C₂₂H₂₂N₂O₂ — CID 155513438

About 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol

4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol (PubChem CID 155513438) has the molecular formula C₂₂H₂₂N₂O₂ and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol.

Molecular Properties

• Compound Name: 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
• PubChem CID: 155513438
• Molecular Formula: C₂₂H₂₂N₂O₂
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.17
• IUPAC Name: 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
• SMILES: Cc1ccc2[nH]cc(CCNCc3ccc(-c4ccc(O)cc4)o3)c2c1
• InChI: InChI=1S/C22H22N2O2/c1-15-2-8-21-20(12-15)17(13-24-21)10-11-23-14-19-7-9-22(26-19)16-3-5-18(25)6-4-16/h2-9,12-13,23-25H,10-11,14H2,1H3
• InChIKey: ITDSKRBULWCGTL-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 61.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?

The IUPAC name of 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol (CID 155513438) is 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol.

What is the SMILES notation for 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?

The canonical SMILES for 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol is Cc1ccc2[nH]cc(CCNCc3ccc(-c4ccc(O)cc4)o3)c2c1.

What is the InChIKey of 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?

The InChIKey is ITDSKRBULWCGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-2-8-21-20(12-15)17(13-24-21)10-11-23-14-19-7-9-22(26-19)16-3-5-18(25)6-4-16/h2-9,12-13,23-25H,10-11,14H2,1H3.

What are the key properties of 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?

4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol has a molecular weight of 346.43 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol is sourced from PubChem (CID 155513438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155513438 — identifiers, structure, computed properties (public domain)

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