3-(4-bromo-2-ethylphenoxy)azetidine

C11H14BrNO — CID 53409294

IUPAC3-(4-bromo-2-ethylphenoxy)azetidine
SMILESCCc1cc(Br)ccc1OC1CNC1
InChIInChI=1S/C11H14BrNO/c1-2-8-5-9(12)3-4-11(8)14-10-6-13-7-10/h3-5,10,13H,2,6-7H2,1H3
InChIKeyLFDZZENQUAZZMF-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.36
Rot. Bonds3

About 3-(4-bromo-2-ethylphenoxy)azetidine

3-(4-bromo-2-ethylphenoxy)azetidine (PubChem CID 53409294) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-(4-bromo-2-ethylphenoxy)azetidine.

Molecular Properties

Compound Name3-(4-bromo-2-ethylphenoxy)azetidine
PubChem CID53409294
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-(4-bromo-2-ethylphenoxy)azetidine
SMILESCCc1cc(Br)ccc1OC1CNC1
InChIInChI=1S/C11H14BrNO/c1-2-8-5-9(12)3-4-11(8)14-10-6-13-7-10/h3-5,10,13H,2,6-7H2,1H3
InChIKeyLFDZZENQUAZZMF-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-bromo-2-ethylphenoxy)pyrrolidine
CID 86321972
3-(4-bromo-2-methylphenoxy)azetidine
CID 24902314
(3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine
CID 86322012
3-(4-bromo-2-phenylphenoxy)azetidine
CID 56777510
3-(1,6-dibromonaphthalen-2-yl)oxyazetidine
CID 53409373
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965
[5-bromo-2-(3,5-dimethylcyclohexyl)oxyphenyl]methanol
CID 64735922
3-[5-bromo-2-[(5-ethyl-2,3-dihydro-1H-inden-1-yl)oxy]phenoxy]azetidine
CID 68620850
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine
CID 46215489
3-(2-bromo-4-methoxyphenoxy)azetidine
CID 53409199
methyl (2S,4S)-4-(4-bromo-2-propylphenoxy)pyrrolidine-2-carboxylate
CID 56831322
[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methanol
CID 64738178

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-ethylphenoxy)azetidine?
The IUPAC name of 3-(4-bromo-2-ethylphenoxy)azetidine (CID 53409294) is 3-(4-bromo-2-ethylphenoxy)azetidine.
What is the SMILES notation for 3-(4-bromo-2-ethylphenoxy)azetidine?
The canonical SMILES for 3-(4-bromo-2-ethylphenoxy)azetidine is CCc1cc(Br)ccc1OC1CNC1.
What is the InChIKey of 3-(4-bromo-2-ethylphenoxy)azetidine?
The InChIKey is LFDZZENQUAZZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-8-5-9(12)3-4-11(8)14-10-6-13-7-10/h3-5,10,13H,2,6-7H2,1H3.
What are the key properties of 3-(4-bromo-2-ethylphenoxy)azetidine?
3-(4-bromo-2-ethylphenoxy)azetidine has a molecular weight of 256.14 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-ethylphenoxy)azetidine is sourced from PubChem (CID 53409294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).