2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine

C22H26N4O2 — CID 10809674

IUPAC2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
InChIInChI=1S/C22H26N4O2/c23-7-5-15-13-25-21-3-1-17(11-19(15)21)27-9-10-28-18-2-4-22-20(12-18)16(6-8-24)14-26-22/h1-4,11-14,25-26H,5-10,23-24H2
InChIKeySFOKJRGOEMIKRG-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.11
Rot. Bonds9

About 2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine

2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine (PubChem CID 10809674) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine
PubChem CID10809674
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
InChIInChI=1S/C22H26N4O2/c23-7-5-15-13-25-21-3-1-17(11-19(15)21)27-9-10-28-18-2-4-22-20(12-18)16(6-8-24)14-26-22/h1-4,11-14,25-26H,5-10,23-24H2
InChIKeySFOKJRGOEMIKRG-UHFFFAOYSA-N
XLogP3.11
TPSA102.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.11
H-Bond Donors ≤ 54
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-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine (CID 10809674) is 2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12.
What is the InChIKey of 2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine?
The InChIKey is SFOKJRGOEMIKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-7-5-15-13-25-21-3-1-17(11-19(15)21)27-9-10-28-18-2-4-22-20(12-18)16(6-8-24)14-26-22/h1-4,11-14,25-26H,5-10,23-24H2.
What are the key properties of 2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine?
2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine has a molecular weight of 378.48 g/mol, XLogP of 3.11, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethoxy]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10809674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).