3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine

C12H16BrNO — CID 84712644

IUPAC3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine
SMILESCN1CC(CCOc2cccc(Br)c2)C1
InChIInChI=1S/C12H16BrNO/c1-14-8-10(9-14)5-6-15-12-4-2-3-11(13)7-12/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyFEHJFHYXWDEWRM-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.78
Rot. Bonds4

About 3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine

3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine (PubChem CID 84712644) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine.

Molecular Properties

Compound Name3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine
PubChem CID84712644
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine
SMILESCN1CC(CCOc2cccc(Br)c2)C1
InChIInChI=1S/C12H16BrNO/c1-14-8-10(9-14)5-6-15-12-4-2-3-11(13)7-12/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyFEHJFHYXWDEWRM-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-bromophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336045
2-[2-(3-bromophenoxy)ethyl]-4-propylcyclohexan-1-one
CID 63399217
4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
CID 106838322
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
1-bromo-3-ethoxybenzene;ethane
CID 143900364
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
1-[2-(3-bromophenoxy)ethyl]-2,2,5-trimethylpiperazine
CID 64843936
1-[2-(3-bromophenoxy)ethyl]-3-pyrrolidin-1-ylpyrrolidine
CID 62959239
1-methyl-4-[2-(3-methylphenoxy)ethyl]piperidine
CID 58946190
1-[2-(3-bromophenoxy)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846879
5-[2-(3-bromophenoxy)ethyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208929

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine?
The IUPAC name of 3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine (CID 84712644) is 3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine.
What is the SMILES notation for 3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine?
The canonical SMILES for 3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine is CN1CC(CCOc2cccc(Br)c2)C1.
What is the InChIKey of 3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine?
The InChIKey is FEHJFHYXWDEWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-14-8-10(9-14)5-6-15-12-4-2-3-11(13)7-12/h2-4,7,10H,5-6,8-9H2,1H3.
What are the key properties of 3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine?
3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine has a molecular weight of 270.17 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenoxy)ethyl]-1-methylazetidine is sourced from PubChem (CID 84712644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).