3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine

C17H18BrNO2 — CID 166080761

IUPAC3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine
SMILESCOc1cc(C2CNC2)c(OCc2ccccc2)cc1Br
InChIInChI=1S/C17H18BrNO2/c1-20-17-7-14(13-9-19-10-13)16(8-15(17)18)21-11-12-5-3-2-4-6-12/h2-8,13,19H,9-11H2,1H3
InChIKeyGFEVBVDOFHXFLO-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.72
Rot. Bonds5

About 3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine

3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine (PubChem CID 166080761) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine.

Molecular Properties

Compound Name3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine
PubChem CID166080761
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine
SMILESCOc1cc(C2CNC2)c(OCc2ccccc2)cc1Br
InChIInChI=1S/C17H18BrNO2/c1-20-17-7-14(13-9-19-10-13)16(8-15(17)18)21-11-12-5-3-2-4-6-12/h2-8,13,19H,9-11H2,1H3
InChIKeyGFEVBVDOFHXFLO-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-methoxy-4-(2-methylpropyl)-2-phenylmethoxyphenyl]azetidine
CID 166080790
1-(5-bromo-2,4-dimethoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4240818
5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine
CID 135290304
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane
CID 59089862
1-(5-bromo-4-methoxy-2-phenylmethoxyphenyl)adamantane
CID 67209072
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-1-hydroxy-2,2-dimethylpyrrolidine
CID 135296695
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine
CID 79416158
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine?
The IUPAC name of 3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine (CID 166080761) is 3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine.
What is the SMILES notation for 3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine?
The canonical SMILES for 3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine is COc1cc(C2CNC2)c(OCc2ccccc2)cc1Br.
What is the InChIKey of 3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine?
The InChIKey is GFEVBVDOFHXFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-20-17-7-14(13-9-19-10-13)16(8-15(17)18)21-11-12-5-3-2-4-6-12/h2-8,13,19H,9-11H2,1H3.
What are the key properties of 3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine?
3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine has a molecular weight of 348.24 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine is sourced from PubChem (CID 166080761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).