2-[(5-bromo-2-chlorophenoxy)methyl]azetidine

C10H11BrClNO — CID 84714468

IUPAC2-[(5-bromo-2-chlorophenoxy)methyl]azetidine
SMILESClc1ccc(Br)cc1OCC1CCN1
InChIInChI=1S/C10H11BrClNO/c11-7-1-2-9(12)10(5-7)14-6-8-3-4-13-8/h1-2,5,8,13H,3-4,6H2
InChIKeyDRIPIDJQDXQJCG-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.84
Rot. Bonds3

About 2-[(5-bromo-2-chlorophenoxy)methyl]azetidine

2-[(5-bromo-2-chlorophenoxy)methyl]azetidine (PubChem CID 84714468) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 2-[(5-bromo-2-chlorophenoxy)methyl]azetidine.

Molecular Properties

Compound Name2-[(5-bromo-2-chlorophenoxy)methyl]azetidine
PubChem CID84714468
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name2-[(5-bromo-2-chlorophenoxy)methyl]azetidine
SMILESClc1ccc(Br)cc1OCC1CCN1
InChIInChI=1S/C10H11BrClNO/c11-7-1-2-9(12)10(5-7)14-6-8-3-4-13-8/h1-2,5,8,13H,3-4,6H2
InChIKeyDRIPIDJQDXQJCG-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azetidin-2-ylmethoxy)-3-bromophenol
CID 84709333
(2S)-2-[(5-bromo-2-methylphenoxy)methyl]pyrrolidine
CID 107284582
(3S,4R)-3-[(5-bromo-2-chlorophenoxy)methyl]-4-(4-fluorophenyl)piperidine
CID 25110715
2-[(4-chloro-2-fluorophenoxy)methyl]azetidine
CID 84681387
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104
2-[(2-chloro-5-nitrophenoxy)methyl]pyrrolidine
CID 54140908
4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768530
3-[(5-bromo-2-chlorophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220792
(2S)-2-[(4-bromo-2-nitrophenoxy)methyl]pyrrolidine
CID 94406471
4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene
CID 65013710
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
(2S)-2-(4-bromo-2-chlorophenyl)azetidine
CID 130624540

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chlorophenoxy)methyl]azetidine?
The IUPAC name of 2-[(5-bromo-2-chlorophenoxy)methyl]azetidine (CID 84714468) is 2-[(5-bromo-2-chlorophenoxy)methyl]azetidine.
What is the SMILES notation for 2-[(5-bromo-2-chlorophenoxy)methyl]azetidine?
The canonical SMILES for 2-[(5-bromo-2-chlorophenoxy)methyl]azetidine is Clc1ccc(Br)cc1OCC1CCN1.
What is the InChIKey of 2-[(5-bromo-2-chlorophenoxy)methyl]azetidine?
The InChIKey is DRIPIDJQDXQJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c11-7-1-2-9(12)10(5-7)14-6-8-3-4-13-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of 2-[(5-bromo-2-chlorophenoxy)methyl]azetidine?
2-[(5-bromo-2-chlorophenoxy)methyl]azetidine has a molecular weight of 276.56 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chlorophenoxy)methyl]azetidine is sourced from PubChem (CID 84714468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).