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

C17H17BrFN — CID 79460878

IUPAC3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
SMILESCc1cccc(C2(Cc3cc(F)ccc3Br)CNC2)c1
InChIInChI=1S/C17H17BrFN/c1-12-3-2-4-14(7-12)17(10-20-11-17)9-13-8-15(19)5-6-16(13)18/h2-8,20H,9-11H2,1H3
InChIKeyYUPUTRQYFZWIOB-UHFFFAOYSA-N
MW334.23 g/mol
LogP3.98
Rot. Bonds3

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

3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine (PubChem CID 79460878) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine.

Molecular Properties

Compound Name3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
PubChem CID79460878
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
SMILESCc1cccc(C2(Cc3cc(F)ccc3Br)CNC2)c1
InChIInChI=1S/C17H17BrFN/c1-12-3-2-4-14(7-12)17(10-20-11-17)9-13-8-15(19)5-6-16(13)18/h2-8,20H,9-11H2,1H3
InChIKeyYUPUTRQYFZWIOB-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79459973
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
CID 79460198
3-[(2-bromo-5-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563367
3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79461032
3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
CID 79460489
3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine
CID 114350031
3-[(2-bromo-4-fluorophenyl)methyl]-3-(4-bromophenyl)azetidine
CID 79460518
3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine
CID 79460270
3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 79459620
3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine
CID 105376161
5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
CID 112645466
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine?
The IUPAC name of 3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine (CID 79460878) is 3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine.
What is the SMILES notation for 3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine?
The canonical SMILES for 3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine is Cc1cccc(C2(Cc3cc(F)ccc3Br)CNC2)c1.
What is the InChIKey of 3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine?
The InChIKey is YUPUTRQYFZWIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c1-12-3-2-4-14(7-12)17(10-20-11-17)9-13-8-15(19)5-6-16(13)18/h2-8,20H,9-11H2,1H3.
What are the key properties of 3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine?
3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine has a molecular weight of 334.23 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine is sourced from PubChem (CID 79460878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).