3-(4-bromophenoxy)-1-methylazetidine

C10H12BrNO — CID 84703186

IUPAC3-(4-bromophenoxy)-1-methylazetidine
SMILESCN1CC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C10H12BrNO/c1-12-6-10(7-12)13-9-4-2-8(11)3-5-9/h2-5,10H,6-7H2,1H3
InChIKeyBKNBYCMAAYHUSN-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.14
Rot. Bonds2

About 3-(4-bromophenoxy)-1-methylazetidine

3-(4-bromophenoxy)-1-methylazetidine (PubChem CID 84703186) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-1-methylazetidine.

Molecular Properties

Compound Name3-(4-bromophenoxy)-1-methylazetidine
PubChem CID84703186
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name3-(4-bromophenoxy)-1-methylazetidine
SMILESCN1CC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C10H12BrNO/c1-12-6-10(7-12)13-9-4-2-8(11)3-5-9/h2-5,10H,6-7H2,1H3
InChIKeyBKNBYCMAAYHUSN-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-1-methylazetidine?
The IUPAC name of 3-(4-bromophenoxy)-1-methylazetidine (CID 84703186) is 3-(4-bromophenoxy)-1-methylazetidine.
What is the SMILES notation for 3-(4-bromophenoxy)-1-methylazetidine?
The canonical SMILES for 3-(4-bromophenoxy)-1-methylazetidine is CN1CC(Oc2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenoxy)-1-methylazetidine?
The InChIKey is BKNBYCMAAYHUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-12-6-10(7-12)13-9-4-2-8(11)3-5-9/h2-5,10H,6-7H2,1H3.
What are the key properties of 3-(4-bromophenoxy)-1-methylazetidine?
3-(4-bromophenoxy)-1-methylazetidine has a molecular weight of 242.12 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-1-methylazetidine is sourced from PubChem (CID 84703186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).