3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine

C17H27NO3 — CID 104568851

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine
SMILESCOCCOCCOCCC1(c2ccc(C)cc2)CNC1
InChIInChI=1S/C17H27NO3/c1-15-3-5-16(6-4-15)17(13-18-14-17)7-8-20-11-12-21-10-9-19-2/h3-6,18H,7-14H2,1-2H3
InChIKeyONQAEPBQBLZCHI-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.91
Rot. Bonds10

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine

3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine (PubChem CID 104568851) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine
PubChem CID104568851
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine
SMILESCOCCOCCOCCC1(c2ccc(C)cc2)CNC1
InChIInChI=1S/C17H27NO3/c1-15-3-5-16(6-4-15)17(13-18-14-17)7-8-20-11-12-21-10-9-19-2/h3-6,18H,7-14H2,1-2H3
InChIKeyONQAEPBQBLZCHI-UHFFFAOYSA-N
XLogP1.91
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine
CID 103415655
3-(3-ethoxypropyl)-3-(4-methylphenyl)azetidine
CID 79451057
3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine
CID 106931474
3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine
CID 106459870
3-benzyl-3-(4-methylphenyl)azetidine
CID 79452492
3-(2-methoxyethyl)-3-phenylpyrrolidine
CID 154163341
3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine
CID 79452394
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 123132120
3-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)azetidine
CID 79452497
3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine
CID 79451771

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine (CID 104568851) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine is COCCOCCOCCC1(c2ccc(C)cc2)CNC1.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine?
The InChIKey is ONQAEPBQBLZCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-15-3-5-16(6-4-15)17(13-18-14-17)7-8-20-11-12-21-10-9-19-2/h3-6,18H,7-14H2,1-2H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine has a molecular weight of 293.41 g/mol, XLogP of 1.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine is sourced from PubChem (CID 104568851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).