2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol

C25H26N2O3 — CID 137498449

IUPAC2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol
SMILESOCCOCCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3/c28-15-16-29-17-18-30-23-13-11-22(12-14-23)27-24(20-7-3-1-4-8-20)19-25(27)26-21-9-5-2-6-10-21/h1-14,24,28H,15-19H2/b26-25+
InChIKeyFVTKERUGNIYLLO-OCEACIFDSA-N
MW402.49 g/mol
LogP4.76
Rot. Bonds9

About 2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol

2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol (PubChem CID 137498449) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol
PubChem CID137498449
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol
SMILESOCCOCCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3/c28-15-16-29-17-18-30-23-13-11-22(12-14-23)27-24(20-7-3-1-4-8-20)19-25(27)26-21-9-5-2-6-10-21/h1-14,24,28H,15-19H2/b26-25+
InChIKeyFVTKERUGNIYLLO-OCEACIFDSA-N
XLogP4.76
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine)
CID 159253183
1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702629
2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol
CID 170238899
(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 164624389
2-(2-phenoxyethoxy)ethanol
CID 7715
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-[2-[2-[2-[4-[2-[2-[2-[2-(4-tritylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 10819033
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine
CID 159025355
2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one
CID 170194757
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol (CID 137498449) is 2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol is OCCOCCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of 2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol?
The InChIKey is FVTKERUGNIYLLO-OCEACIFDSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-15-16-29-17-18-30-23-13-11-22(12-14-23)27-24(20-7-3-1-4-8-20)19-25(27)26-21-9-5-2-6-10-21/h1-14,24,28H,15-19H2/b26-25+.
What are the key properties of 2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol?
2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol has a molecular weight of 402.49 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol is sourced from PubChem (CID 137498449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).