2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine

C32H41N3O2 — CID 22020

IUPAC2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OCCN(CC)CC)cc2)cc1
InChIInChI=1S/C32H41N3O2/c1-5-34(6-2)21-23-36-27-17-13-25(14-18-27)31-29-11-9-10-12-30(29)33-32(31)26-15-19-28(20-16-26)37-24-22-35(7-3)8-4/h9-20,33H,5-8,21-24H2,1-4H3
InChIKeyKOSAYSPEZLHSPX-UHFFFAOYSA-N
MW499.70 g/mol
LogP6.94
Rot. Bonds14

About 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine

2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine (PubChem CID 22020) has the molecular formula C32H41N3O2 and a molecular weight of 499.70 g/mol. Its IUPAC name is 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine
PubChem CID22020
Molecular FormulaC32H41N3O2
Molecular Weight499.70 g/mol
Exact Mass499.32
IUPAC Name2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OCCN(CC)CC)cc2)cc1
InChIInChI=1S/C32H41N3O2/c1-5-34(6-2)21-23-36-27-17-13-25(14-18-27)31-29-11-9-10-12-30(29)33-32(31)26-15-19-28(20-16-26)37-24-22-35(7-3)8-4/h9-20,33H,5-8,21-24H2,1-4H3
InChIKeyKOSAYSPEZLHSPX-UHFFFAOYSA-N
XLogP6.94
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.70
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine 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-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine (CID 22020) is 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OCCN(CC)CC)cc2)cc1.
What is the InChIKey of 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine?
The InChIKey is KOSAYSPEZLHSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O2/c1-5-34(6-2)21-23-36-27-17-13-25(14-18-27)31-29-11-9-10-12-30(29)33-32(31)26-15-19-28(20-16-26)37-24-22-35(7-3)8-4/h9-20,33H,5-8,21-24H2,1-4H3.
What are the key properties of 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine?
2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine has a molecular weight of 499.70 g/mol, XLogP of 6.94, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 22020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).