(2R)-2-(3-bromo-2-methoxyphenyl)azetidine

C10H12BrNO — CID 126961267

IUPAC(2R)-2-(3-bromo-2-methoxyphenyl)azetidine
SMILESCOc1c(Br)cccc1[C@H]1CCN1
InChIInChI=1S/C10H12BrNO/c1-13-10-7(9-5-6-12-9)3-2-4-8(10)11/h2-4,9,12H,5-6H2,1H3/t9-/m1/s1
InChIKeyDUNBOMLXNBNLGG-SECBINFHSA-N
MW242.12 g/mol
LogP2.49
Rot. Bonds2

About (2R)-2-(3-bromo-2-methoxyphenyl)azetidine

(2R)-2-(3-bromo-2-methoxyphenyl)azetidine (PubChem CID 126961267) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is (2R)-2-(3-bromo-2-methoxyphenyl)azetidine.

Molecular Properties

Compound Name(2R)-2-(3-bromo-2-methoxyphenyl)azetidine
PubChem CID126961267
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name(2R)-2-(3-bromo-2-methoxyphenyl)azetidine
SMILESCOc1c(Br)cccc1[C@H]1CCN1
InChIInChI=1S/C10H12BrNO/c1-13-10-7(9-5-6-12-9)3-2-4-8(10)11/h2-4,9,12H,5-6H2,1H3/t9-/m1/s1
InChIKeyDUNBOMLXNBNLGG-SECBINFHSA-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

(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
CID 171197120
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
2-(2-methoxy-3-methylphenyl)azepane
CID 5021978
2-(2,4-dibromo-5-methoxyphenyl)azetidine
CID 130043119
(2R)-2-(4-methoxy-2-methylphenyl)azetidine
CID 130623728
2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161
2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
CID 130725443
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674
(2R)-2-(2,3-dimethylphenyl)azetidine
CID 130714481
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
(2R)-2-(4-methylnaphthalen-1-yl)azetidine;hydrochloride
CID 171197351

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromo-2-methoxyphenyl)azetidine?
The IUPAC name of (2R)-2-(3-bromo-2-methoxyphenyl)azetidine (CID 126961267) is (2R)-2-(3-bromo-2-methoxyphenyl)azetidine.
What is the SMILES notation for (2R)-2-(3-bromo-2-methoxyphenyl)azetidine?
The canonical SMILES for (2R)-2-(3-bromo-2-methoxyphenyl)azetidine is COc1c(Br)cccc1[C@H]1CCN1.
What is the InChIKey of (2R)-2-(3-bromo-2-methoxyphenyl)azetidine?
The InChIKey is DUNBOMLXNBNLGG-SECBINFHSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-13-10-7(9-5-6-12-9)3-2-4-8(10)11/h2-4,9,12H,5-6H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-(3-bromo-2-methoxyphenyl)azetidine?
(2R)-2-(3-bromo-2-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 (2R)-2-(3-bromo-2-methoxyphenyl)azetidine is sourced from PubChem (CID 126961267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).