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

C23H24N2O3 — CID 155522511

IUPACN-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
SMILESCOc1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1OC
InChIInChI=1S/C23H24N2O3/c1-26-22-9-7-16(13-23(22)27-2)21-10-8-18(28-21)15-24-12-11-17-14-25-20-6-4-3-5-19(17)20/h3-10,13-14,24-25H,11-12,15H2,1-2H3
InChIKeyPHYAZRSXCWMTCL-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.78
Rot. Bonds8

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

N-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine (PubChem CID 155522511) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
PubChem CID155522511
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
SMILESCOc1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1OC
InChIInChI=1S/C23H24N2O3/c1-26-22-9-7-16(13-23(22)27-2)21-10-8-18(28-21)15-24-12-11-17-14-25-20-6-4-3-5-19(17)20/h3-10,13-14,24-25H,11-12,15H2,1-2H3
InChIKeyPHYAZRSXCWMTCL-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 N-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of N-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine (CID 155522511) is N-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine is COc1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1OC.
What is the InChIKey of N-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
The InChIKey is PHYAZRSXCWMTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-26-22-9-7-16(13-23(22)27-2)21-10-8-18(28-21)15-24-12-11-17-14-25-20-6-4-3-5-19(17)20/h3-10,13-14,24-25H,11-12,15H2,1-2H3.
What are the key properties of N-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine?
N-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)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 N-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 155522511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).