2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine

C24H26N2O2 — CID 155562063

IUPAC2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCC(C)Oc1cccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C24H26N2O2/c1-17(2)27-20-7-5-6-18(14-20)24-11-10-21(28-24)16-25-13-12-19-15-26-23-9-4-3-8-22(19)23/h3-11,14-15,17,25-26H,12-13,16H2,1-2H3
InChIKeyIFLWENXGEYXGDD-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.55
Rot. Bonds8

About 2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine

2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 155562063) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
PubChem CID155562063
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
SMILESCC(C)Oc1cccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C24H26N2O2/c1-17(2)27-20-7-5-6-18(14-20)24-11-10-21(28-24)16-25-13-12-19-15-26-23-9-4-3-8-22(19)23/h3-11,14-15,17,25-26H,12-13,16H2,1-2H3
InChIKeyIFLWENXGEYXGDD-UHFFFAOYSA-N
XLogP5.55
TPSA50.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine (CID 155562063) is 2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine is CC(C)Oc1cccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is IFLWENXGEYXGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17(2)27-20-7-5-6-18(14-20)24-11-10-21(28-24)16-25-13-12-19-15-26-23-9-4-3-8-22(19)23/h3-11,14-15,17,25-26H,12-13,16H2,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine?
2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 374.48 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[[5-(3-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 155562063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).