2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine

C13H17BrFN — CID 84813703

IUPAC2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine
SMILESCc1c(F)cc(Br)c(C)c1CC1CCCN1
InChIInChI=1S/C13H17BrFN/c1-8-11(6-10-4-3-5-16-10)9(2)13(15)7-12(8)14/h7,10,16H,3-6H2,1-2H3
InChIKeyZFISSQONKSWNJY-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.50
Rot. Bonds2

About 2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine

2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine (PubChem CID 84813703) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine
PubChem CID84813703
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine
SMILESCc1c(F)cc(Br)c(C)c1CC1CCCN1
InChIInChI=1S/C13H17BrFN/c1-8-11(6-10-4-3-5-16-10)9(2)13(15)7-12(8)14/h7,10,16H,3-6H2,1-2H3
InChIKeyZFISSQONKSWNJY-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine
CID 117118294
2-[(2-bromo-4,6-dimethylphenyl)methyl]pyrrolidine
CID 84808310
4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 84812962
2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
CID 117461292
4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
2-[(6-bromo-3-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 117465019
2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117432392
2-bromo-3,5-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117471512
2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine
CID 84808311
2-[(5-bromo-2,3-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117499665
2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine
CID 117386317
2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 117465016

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine (CID 84813703) is 2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine is Cc1c(F)cc(Br)c(C)c1CC1CCCN1.
What is the InChIKey of 2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine?
The InChIKey is ZFISSQONKSWNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-8-11(6-10-4-3-5-16-10)9(2)13(15)7-12(8)14/h7,10,16H,3-6H2,1-2H3.
What are the key properties of 2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine?
2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine has a molecular weight of 286.19 g/mol, XLogP of 3.50, 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-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84813703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).