2-[(3-bromo-5-methylphenyl)methyl]azetidine

C11H14BrN — CID 84701852

IUPAC2-[(3-bromo-5-methylphenyl)methyl]azetidine
SMILESCc1cc(Br)cc(CC2CCN2)c1
InChIInChI=1S/C11H14BrN/c1-8-4-9(6-10(12)5-8)7-11-2-3-13-11/h4-6,11,13H,2-3,7H2,1H3
InChIKeyYVVWULLSVTUZIJ-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.66
Rot. Bonds2

About 2-[(3-bromo-5-methylphenyl)methyl]azetidine

2-[(3-bromo-5-methylphenyl)methyl]azetidine (PubChem CID 84701852) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-[(3-bromo-5-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Name2-[(3-bromo-5-methylphenyl)methyl]azetidine
PubChem CID84701852
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-[(3-bromo-5-methylphenyl)methyl]azetidine
SMILESCc1cc(Br)cc(CC2CCN2)c1
InChIInChI=1S/C11H14BrN/c1-8-4-9(6-10(12)5-8)7-11-2-3-13-11/h4-6,11,13H,2-3,7H2,1H3
InChIKeyYVVWULLSVTUZIJ-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chloro-5-methylphenyl)methyl]piperidine
CID 84688929
1-bromo-3-ethyl-5-methylbenzene;ethane
CID 142064327
2-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 84708784
2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine
CID 106777874
N-[(3-bromo-5-methylphenyl)methyl]-N-methylhydroxylamine
CID 84793464
2-[(3-bromo-4-chlorophenyl)methyl]azetidine
CID 84710243
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
3-benzyl-1-(3-bromo-5-methylphenyl)piperazine
CID 107580098
3-(azetidin-2-ylmethyl)-5-fluorophenol
CID 84657924
1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
CID 159961649
2-[(2-bromo-4,6-dimethylphenyl)methyl]pyrrolidine
CID 84808310
2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-methylphenyl)methyl]azetidine?
The IUPAC name of 2-[(3-bromo-5-methylphenyl)methyl]azetidine (CID 84701852) is 2-[(3-bromo-5-methylphenyl)methyl]azetidine.
What is the SMILES notation for 2-[(3-bromo-5-methylphenyl)methyl]azetidine?
The canonical SMILES for 2-[(3-bromo-5-methylphenyl)methyl]azetidine is Cc1cc(Br)cc(CC2CCN2)c1.
What is the InChIKey of 2-[(3-bromo-5-methylphenyl)methyl]azetidine?
The InChIKey is YVVWULLSVTUZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-4-9(6-10(12)5-8)7-11-2-3-13-11/h4-6,11,13H,2-3,7H2,1H3.
What are the key properties of 2-[(3-bromo-5-methylphenyl)methyl]azetidine?
2-[(3-bromo-5-methylphenyl)methyl]azetidine has a molecular weight of 240.14 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-methylphenyl)methyl]azetidine is sourced from PubChem (CID 84701852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).