3-[2-(4-benzylphenoxy)ethyl]azetidine

C18H21NO — CID 107391708

IUPAC3-[2-(4-benzylphenoxy)ethyl]azetidine
SMILESc1ccc(Cc2ccc(OCCC3CNC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-2-4-15(5-3-1)12-16-6-8-18(9-7-16)20-11-10-17-13-19-14-17/h1-9,17,19H,10-14H2
InChIKeyKBZXPENALHQVOD-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.27
Rot. Bonds6

About 3-[2-(4-benzylphenoxy)ethyl]azetidine

3-[2-(4-benzylphenoxy)ethyl]azetidine (PubChem CID 107391708) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[2-(4-benzylphenoxy)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(4-benzylphenoxy)ethyl]azetidine
PubChem CID107391708
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[2-(4-benzylphenoxy)ethyl]azetidine
SMILESc1ccc(Cc2ccc(OCCC3CNC3)cc2)cc1
InChIInChI=1S/C18H21NO/c1-2-4-15(5-3-1)12-16-6-8-18(9-7-16)20-11-10-17-13-19-14-17/h1-9,17,19H,10-14H2
InChIKeyKBZXPENALHQVOD-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-iodophenoxy)ethyl]azetidine
CID 107391676
N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide
CID 67648354
4-[(4-benzylphenoxy)methyl]piperidine
CID 23722975
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376
3-[2-(azetidin-3-yl)ethoxy]pyridine
CID 107391839
3-[2-(3,4-dimethylphenoxy)ethyl]azetidine
CID 107391539
2-[2-(4-benzylphenoxy)ethyl]-2-azabicyclo[2.2.1]heptane
CID 23553311
1-benzyl-4-(3-propoxypropoxy)benzene
CID 14353109
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine
CID 10711066
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]azetidine
CID 107391556

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzylphenoxy)ethyl]azetidine?
The IUPAC name of 3-[2-(4-benzylphenoxy)ethyl]azetidine (CID 107391708) is 3-[2-(4-benzylphenoxy)ethyl]azetidine.
What is the SMILES notation for 3-[2-(4-benzylphenoxy)ethyl]azetidine?
The canonical SMILES for 3-[2-(4-benzylphenoxy)ethyl]azetidine is c1ccc(Cc2ccc(OCCC3CNC3)cc2)cc1.
What is the InChIKey of 3-[2-(4-benzylphenoxy)ethyl]azetidine?
The InChIKey is KBZXPENALHQVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-4-15(5-3-1)12-16-6-8-18(9-7-16)20-11-10-17-13-19-14-17/h1-9,17,19H,10-14H2.
What are the key properties of 3-[2-(4-benzylphenoxy)ethyl]azetidine?
3-[2-(4-benzylphenoxy)ethyl]azetidine has a molecular weight of 267.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzylphenoxy)ethyl]azetidine is sourced from PubChem (CID 107391708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).