(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride

C10H13BrClNO — CID 171196708

IUPAC(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
SMILESCOc1ccc(Br)cc1[C@@H]1CCN1.Cl
InChIInChI=1S/C10H12BrNO.ClH/c1-13-10-3-2-7(11)6-8(10)9-4-5-12-9;/h2-3,6,9,12H,4-5H2,1H3;1H/t9-;/m0./s1
InChIKeyVODZQWNUZIDOPM-FVGYRXGTSA-N
MW278.58 g/mol
LogP2.91
Rot. Bonds2

About (2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride

(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride (PubChem CID 171196708) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is (2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
PubChem CID171196708
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
SMILESCOc1ccc(Br)cc1[C@@H]1CCN1.Cl
InChIInChI=1S/C10H12BrNO.ClH/c1-13-10-3-2-7(11)6-8(10)9-4-5-12-9;/h2-3,6,9,12H,4-5H2,1H3;1H/t9-;/m0./s1
InChIKeyVODZQWNUZIDOPM-FVGYRXGTSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)aziridine
CID 82473824
2-(5-bromo-2-methoxyphenyl)piperazine
CID 82093166
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82160176
2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol
CID 130699449
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine
CID 42579904
2-(2,4-dibromo-5-methoxyphenyl)azetidine
CID 130043119
3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82134395
1-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3969108
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride?
The IUPAC name of (2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride (CID 171196708) is (2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride.
What is the SMILES notation for (2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride?
The canonical SMILES for (2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride is COc1ccc(Br)cc1[C@@H]1CCN1.Cl.
What is the InChIKey of (2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride?
The InChIKey is VODZQWNUZIDOPM-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12BrNO.ClH/c1-13-10-3-2-7(11)6-8(10)9-4-5-12-9;/h2-3,6,9,12H,4-5H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride?
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride has a molecular weight of 278.58 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride is sourced from PubChem (CID 171196708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).