2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine

C23H24N2O3 — CID 155541866

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCOc1ccc(-c2ccc(CNCCc3c[nH]c4ccc(OC)cc34)o2)cc1
InChIInChI=1S/C23H24N2O3/c1-26-18-5-3-16(4-6-18)23-10-8-20(28-23)15-24-12-11-17-14-25-22-9-7-19(27-2)13-21(17)22/h3-10,13-14,24-25H,11-12,15H2,1-2H3
InChIKeyVOQWGUWQIPPYSL-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.78
Rot. Bonds8

About 2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine

2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 155541866) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine
PubChem CID155541866
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCOc1ccc(-c2ccc(CNCCc3c[nH]c4ccc(OC)cc34)o2)cc1
InChIInChI=1S/C23H24N2O3/c1-26-18-5-3-16(4-6-18)23-10-8-20(28-23)15-24-12-11-17-14-25-22-9-7-19(27-2)13-21(17)22/h3-10,13-14,24-25H,11-12,15H2,1-2H3
InChIKeyVOQWGUWQIPPYSL-UHFFFAOYSA-N
XLogP4.78
TPSA59.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine (CID 155541866) is 2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine is COc1ccc(-c2ccc(CNCCc3c[nH]c4ccc(OC)cc34)o2)cc1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is VOQWGUWQIPPYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-26-18-5-3-16(4-6-18)23-10-8-20(28-23)15-24-12-11-17-14-25-22-9-7-19(27-2)13-21(17)22/h3-10,13-14,24-25H,11-12,15H2,1-2H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine?
2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 376.46 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 155541866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).