3-(1-phenoxyethyl)azetidine

C11H15NO — CID 105437140

IUPAC3-(1-phenoxyethyl)azetidine
SMILESCC(Oc1ccccc1)C1CNC1
InChIInChI=1S/C11H15NO/c1-9(10-7-12-8-10)13-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3
InChIKeyYVCKBYUOEMQJIT-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.67
Rot. Bonds3

About 3-(1-phenoxyethyl)azetidine

3-(1-phenoxyethyl)azetidine (PubChem CID 105437140) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(1-phenoxyethyl)azetidine.

Molecular Properties

Compound Name3-(1-phenoxyethyl)azetidine
PubChem CID105437140
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(1-phenoxyethyl)azetidine
SMILESCC(Oc1ccccc1)C1CNC1
InChIInChI=1S/C11H15NO/c1-9(10-7-12-8-10)13-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3
InChIKeyYVCKBYUOEMQJIT-UHFFFAOYSA-N
XLogP1.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(azetidin-3-yl)ethoxy]phenol
CID 105447139
3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 105477836
3-(1-naphthalen-2-yloxyethyl)pyrrolidine
CID 59544011
2-(1-phenoxyethyl)-1,3-dioxolane
CID 174488411
methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropyl-2-methylpropanoate
CID 123456154
3-(2-phenoxypropyl)pyrrolidine
CID 105458119
cyclopropane;methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-2-methylpropanoate
CID 144899407
azane;aziridin-2-ol;1-phenoxyethanol
CID 20544565
3-phenoxy-4-propan-2-ylpyrrolidine
CID 130439582
3-(4-propan-2-yloxyphenyl)sulfanylazetidine
CID 117032992
4-[1-(2-methoxyphenoxy)ethyl]piperidine
CID 105496691
4-(1-cyclopropylethoxy)benzenethiol
CID 142872065

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenoxyethyl)azetidine?
The IUPAC name of 3-(1-phenoxyethyl)azetidine (CID 105437140) is 3-(1-phenoxyethyl)azetidine.
What is the SMILES notation for 3-(1-phenoxyethyl)azetidine?
The canonical SMILES for 3-(1-phenoxyethyl)azetidine is CC(Oc1ccccc1)C1CNC1.
What is the InChIKey of 3-(1-phenoxyethyl)azetidine?
The InChIKey is YVCKBYUOEMQJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(10-7-12-8-10)13-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3.
What are the key properties of 3-(1-phenoxyethyl)azetidine?
3-(1-phenoxyethyl)azetidine has a molecular weight of 177.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenoxyethyl)azetidine is sourced from PubChem (CID 105437140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).