3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine

C18H21NO2 — CID 79451136

IUPAC3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine
SMILESCOc1ccc(OCCC2(c3ccccc3)CNC2)cc1
InChIInChI=1S/C18H21NO2/c1-20-16-7-9-17(10-8-16)21-12-11-18(13-19-14-18)15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3
InChIKeySVJQDOSTMWUKRV-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.01
Rot. Bonds6

About 3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine

3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine (PubChem CID 79451136) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine
PubChem CID79451136
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine
SMILESCOc1ccc(OCCC2(c3ccccc3)CNC2)cc1
InChIInChI=1S/C18H21NO2/c1-20-16-7-9-17(10-8-16)21-12-11-18(13-19-14-18)15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3
InChIKeySVJQDOSTMWUKRV-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine
CID 79451771
3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine
CID 79452069
3-(2-methoxyethyl)-3-phenylpyrrolidine
CID 154163341
3-[3-(2-methoxyethoxy)propyl]-3-phenylazetidine
CID 103415655
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
2-[3-(4-methoxyphenyl)pyrrolidin-3-yl]ethyl methanesulfonate
CID 139816587
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150
(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
CID 124843631
1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]-2-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111410899
3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine
CID 79459725
4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride
CID 67691150
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine (CID 79451136) is 3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine is COc1ccc(OCCC2(c3ccccc3)CNC2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine?
The InChIKey is SVJQDOSTMWUKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-16-7-9-17(10-8-16)21-12-11-18(13-19-14-18)15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine?
3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine has a molecular weight of 283.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethyl]-3-phenylazetidine is sourced from PubChem (CID 79451136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).