2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine

C20H38N4O4 — CID 67457449

IUPAC2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCNCc1ccc(CNCCOCCOCCN)cc1
InChIInChI=1S/C20H38N4O4/c21-5-9-25-13-15-27-11-7-23-17-19-1-2-20(4-3-19)18-24-8-12-28-16-14-26-10-6-22/h1-4,23-24H,5-18,21-22H2
InChIKeyGMVNJEZPSOPBCL-UHFFFAOYSA-N
MW398.55 g/mol
LogP-0.15
Rot. Bonds20

About 2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine

2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine (PubChem CID 67457449) has the molecular formula C20H38N4O4 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine
PubChem CID67457449
Molecular FormulaC20H38N4O4
Molecular Weight398.55 g/mol
Exact Mass398.29
IUPAC Name2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCNCc1ccc(CNCCOCCOCCN)cc1
InChIInChI=1S/C20H38N4O4/c21-5-9-25-13-15-27-11-7-23-17-19-1-2-20(4-3-19)18-24-8-12-28-16-14-26-10-6-22/h1-4,23-24H,5-18,21-22H2
InChIKeyGMVNJEZPSOPBCL-UHFFFAOYSA-N
XLogP-0.15
TPSA113.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]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-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine (CID 67457449) is 2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine is NCCOCCOCCNCc1ccc(CNCCOCCOCCN)cc1.
What is the InChIKey of 2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine?
The InChIKey is GMVNJEZPSOPBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O4/c21-5-9-25-13-15-27-11-7-23-17-19-1-2-20(4-3-19)18-24-8-12-28-16-14-26-10-6-22/h1-4,23-24H,5-18,21-22H2.
What are the key properties of 2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine?
2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine has a molecular weight of 398.55 g/mol, XLogP of -0.15, 20 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]phenyl]methylamino]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 67457449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).