3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine

C14H21NO2 — CID 79452069

IUPAC3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine
SMILESCOCCOCCC1(c2ccccc2)CNC1
InChIInChI=1S/C14H21NO2/c1-16-9-10-17-8-7-14(11-15-12-14)13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKeyHYENZTFPORHPQY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.58
Rot. Bonds7

About 3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine

3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine (PubChem CID 79452069) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine
PubChem CID79452069
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine
SMILESCOCCOCCC1(c2ccccc2)CNC1
InChIInChI=1S/C14H21NO2/c1-16-9-10-17-8-7-14(11-15-12-14)13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKeyHYENZTFPORHPQY-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine (CID 79452069) is 3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine is COCCOCCC1(c2ccccc2)CNC1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine?
The InChIKey is HYENZTFPORHPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-9-10-17-8-7-14(11-15-12-14)13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine?
3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine has a molecular weight of 235.33 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine is sourced from PubChem (CID 79452069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).