2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol

C24H36N2O6 — CID 102444898

IUPAC2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CNCCOCCOCCNCc1ccccc1OCCO
InChIInChI=1S/C24H36N2O6/c27-11-15-31-23-7-3-1-5-21(23)19-25-9-13-29-17-18-30-14-10-26-20-22-6-2-4-8-24(22)32-16-12-28/h1-8,25-28H,9-20H2
InChIKeyVQFDLHGILZFXTI-UHFFFAOYSA-N
MW448.56 g/mol
LogP1.34
Rot. Bonds19

About 2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol

2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol (PubChem CID 102444898) has the molecular formula C24H36N2O6 and a molecular weight of 448.56 g/mol. Its IUPAC name is 2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
PubChem CID102444898
Molecular FormulaC24H36N2O6
Molecular Weight448.56 g/mol
Exact Mass448.26
IUPAC Name2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CNCCOCCOCCNCc1ccccc1OCCO
InChIInChI=1S/C24H36N2O6/c27-11-15-31-23-7-3-1-5-21(23)19-25-9-13-29-17-18-30-14-10-26-20-22-6-2-4-8-24(22)32-16-12-28/h1-8,25-28H,9-20H2
InChIKeyVQFDLHGILZFXTI-UHFFFAOYSA-N
XLogP1.34
TPSA101.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 51.34
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-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155194
2-[2-[2-(2-benzylphenoxy)ethylamino]ethoxy]ethanol
CID 2231870
2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63063933
2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457819
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457847
2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457786
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
2-[[2-(2-hydroxyethoxy)ethylamino]methyl]benzoic acid
CID 17156841
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155290
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol (CID 102444898) is 2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol is OCCOc1ccccc1CNCCOCCOCCNCc1ccccc1OCCO.
What is the InChIKey of 2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol?
The InChIKey is VQFDLHGILZFXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O6/c27-11-15-31-23-7-3-1-5-21(23)19-25-9-13-29-17-18-30-14-10-26-20-22-6-2-4-8-24(22)32-16-12-28/h1-8,25-28H,9-20H2.
What are the key properties of 2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol?
2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol has a molecular weight of 448.56 g/mol, XLogP of 1.34, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 102444898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).