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

C15H23NO2 — CID 103415655

IUPAC3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine
SMILESCOCCOCCCC1(c2ccccc2)CNC1
InChIInChI=1S/C15H23NO2/c1-17-10-11-18-9-5-8-15(12-16-13-15)14-6-3-2-4-7-14/h2-4,6-7,16H,5,8-13H2,1H3
InChIKeyZUUYAVIELIWUOG-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.97
Rot. Bonds8

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

3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine (PubChem CID 103415655) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine
PubChem CID103415655
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine
SMILESCOCCOCCCC1(c2ccccc2)CNC1
InChIInChI=1S/C15H23NO2/c1-17-10-11-18-9-5-8-15(12-16-13-15)14-6-3-2-4-7-14/h2-4,6-7,16H,5,8-13H2,1H3
InChIKeyZUUYAVIELIWUOG-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.97
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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Related Compounds

3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine
CID 79452069
3-(4-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]azetidine
CID 103415662
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine
CID 104568851
3-(4-bromophenyl)-3-(3-ethoxypropyl)azetidine
CID 79460824
3-(2-methoxyethyl)-3-phenylpyrrolidine
CID 154163341
3-(3-ethoxypropyl)-3-(4-methylphenyl)azetidine
CID 79451057
3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine
CID 79451136
3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine
CID 79461082
3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine
CID 79451771
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111406142
3-(2-chlorophenyl)-3-(3-ethoxypropyl)azetidine
CID 79459718
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine
CID 111852754

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine?
The IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine (CID 103415655) is 3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine is COCCOCCCC1(c2ccccc2)CNC1.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine?
The InChIKey is ZUUYAVIELIWUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-10-11-18-9-5-8-15(12-16-13-15)14-6-3-2-4-7-14/h2-4,6-7,16H,5,8-13H2,1H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine?
3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine has a molecular weight of 249.35 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine is sourced from PubChem (CID 103415655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).