3-(2-bromo-3-methylphenyl)azetidine;hydrochloride

C10H13BrClN — CID 172655154

IUPAC3-(2-bromo-3-methylphenyl)azetidine;hydrochloride
SMILESCc1cccc(C2CNC2)c1Br.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-7-3-2-4-9(10(7)11)8-5-12-6-8;/h2-4,8,12H,5-6H2,1H3;1H
InChIKeyXPBINGPZNNHGPS-UHFFFAOYSA-N
MW262.58 g/mol
LogP2.87
Rot. Bonds1

About 3-(2-bromo-3-methylphenyl)azetidine;hydrochloride

3-(2-bromo-3-methylphenyl)azetidine;hydrochloride (PubChem CID 172655154) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 3-(2-bromo-3-methylphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(2-bromo-3-methylphenyl)azetidine;hydrochloride
PubChem CID172655154
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name3-(2-bromo-3-methylphenyl)azetidine;hydrochloride
SMILESCc1cccc(C2CNC2)c1Br.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-7-3-2-4-9(10(7)11)8-5-12-6-8;/h2-4,8,12H,5-6H2,1H3;1H
InChIKeyXPBINGPZNNHGPS-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-methylphenyl)azetidine;hydrochloride?
The IUPAC name of 3-(2-bromo-3-methylphenyl)azetidine;hydrochloride (CID 172655154) is 3-(2-bromo-3-methylphenyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(2-bromo-3-methylphenyl)azetidine;hydrochloride?
The canonical SMILES for 3-(2-bromo-3-methylphenyl)azetidine;hydrochloride is Cc1cccc(C2CNC2)c1Br.Cl.
What is the InChIKey of 3-(2-bromo-3-methylphenyl)azetidine;hydrochloride?
The InChIKey is XPBINGPZNNHGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c1-7-3-2-4-9(10(7)11)8-5-12-6-8;/h2-4,8,12H,5-6H2,1H3;1H.
What are the key properties of 3-(2-bromo-3-methylphenyl)azetidine;hydrochloride?
3-(2-bromo-3-methylphenyl)azetidine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-methylphenyl)azetidine;hydrochloride is sourced from PubChem (CID 172655154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).