2-(2-bromo-4-methoxyphenyl)azetidine

C10H12BrNO — CID 130534303

IUPAC2-(2-bromo-4-methoxyphenyl)azetidine
SMILESCOc1ccc(C2CCN2)c(Br)c1
InChIInChI=1S/C10H12BrNO/c1-13-7-2-3-8(9(11)6-7)10-4-5-12-10/h2-3,6,10,12H,4-5H2,1H3
InChIKeyYIWCYEBVJTZMFA-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.49
Rot. Bonds2

About 2-(2-bromo-4-methoxyphenyl)azetidine

2-(2-bromo-4-methoxyphenyl)azetidine (PubChem CID 130534303) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenyl)azetidine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenyl)azetidine
PubChem CID130534303
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-(2-bromo-4-methoxyphenyl)azetidine
SMILESCOc1ccc(C2CCN2)c(Br)c1
InChIInChI=1S/C10H12BrNO/c1-13-7-2-3-8(9(11)6-7)10-4-5-12-10/h2-3,6,10,12H,4-5H2,1H3
InChIKeyYIWCYEBVJTZMFA-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
(2R)-2-(4-methoxy-2-methylphenyl)azetidine
CID 130623728
(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride
CID 171197142
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
(2R)-2-(2-fluoro-5-methoxyphenyl)azetidine;hydrochloride
CID 171197365
2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
CID 130725443
(2R)-2-(2-iodo-5-methoxyphenyl)azetidine
CID 130626622
2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
CID 171196735
2-(2,4-dibromo-5-methoxyphenyl)azetidine
CID 130043119
2-(2-bromo-5-methoxyphenyl)azepane
CID 62543075
(2S)-2-(2-bromo-4-fluorophenyl)azetidine
CID 131131441
(2R)-2-(3-bromo-2-methoxyphenyl)azetidine
CID 126961267

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenyl)azetidine?
The IUPAC name of 2-(2-bromo-4-methoxyphenyl)azetidine (CID 130534303) is 2-(2-bromo-4-methoxyphenyl)azetidine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenyl)azetidine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenyl)azetidine is COc1ccc(C2CCN2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenyl)azetidine?
The InChIKey is YIWCYEBVJTZMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-13-7-2-3-8(9(11)6-7)10-4-5-12-10/h2-3,6,10,12H,4-5H2,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenyl)azetidine?
2-(2-bromo-4-methoxyphenyl)azetidine has a molecular weight of 242.12 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenyl)azetidine is sourced from PubChem (CID 130534303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).