3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine

C17H17BrClNO2 — CID 46215490

IUPAC3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine
SMILESCN1CC(Oc2cc(Br)ccc2OCc2ccccc2Cl)C1
InChIInChI=1S/C17H17BrClNO2/c1-20-9-14(10-20)22-17-8-13(18)6-7-16(17)21-11-12-4-2-3-5-15(12)19/h2-8,14H,9-11H2,1H3
InChIKeyNMTOXIVLAYUFBF-UHFFFAOYSA-N
MW382.69 g/mol
LogP4.37
Rot. Bonds5

About 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine

3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine (PubChem CID 46215490) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine.

Molecular Properties

Compound Name3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine
PubChem CID46215490
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC Name3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine
SMILESCN1CC(Oc2cc(Br)ccc2OCc2ccccc2Cl)C1
InChIInChI=1S/C17H17BrClNO2/c1-20-9-14(10-20)22-17-8-13(18)6-7-16(17)21-11-12-4-2-3-5-15(12)19/h2-8,14H,9-11H2,1H3
InChIKeyNMTOXIVLAYUFBF-UHFFFAOYSA-N
XLogP4.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.69
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine?
The IUPAC name of 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine (CID 46215490) is 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine.
What is the SMILES notation for 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine?
The canonical SMILES for 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine is CN1CC(Oc2cc(Br)ccc2OCc2ccccc2Cl)C1.
What is the InChIKey of 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine?
The InChIKey is NMTOXIVLAYUFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c1-20-9-14(10-20)22-17-8-13(18)6-7-16(17)21-11-12-4-2-3-5-15(12)19/h2-8,14H,9-11H2,1H3.
What are the key properties of 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine?
3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine has a molecular weight of 382.69 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenoxy]-1-methylazetidine is sourced from PubChem (CID 46215490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).