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

C13H18BrN — CID 84808311

IUPAC2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine
SMILESCc1ccc(C)c(CC2CCCN2)c1Br
InChIInChI=1S/C13H18BrN/c1-9-5-6-10(2)13(14)12(9)8-11-4-3-7-15-11/h5-6,11,15H,3-4,7-8H2,1-2H3
InChIKeyHNUJKRGPFFTWBU-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.36
Rot. Bonds2

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

2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine (PubChem CID 84808311) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine
PubChem CID84808311
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine
SMILESCc1ccc(C)c(CC2CCCN2)c1Br
InChIInChI=1S/C13H18BrN/c1-9-5-6-10(2)13(14)12(9)8-11-4-3-7-15-11/h5-6,11,15H,3-4,7-8H2,1-2H3
InChIKeyHNUJKRGPFFTWBU-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-4,6-dimethylphenyl)methyl]pyrrolidine
CID 84808310
4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 84812962
3-bromo-5-methyl-4-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117483454
2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole
CID 84630578
N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline
CID 117118272
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320369
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine
CID 84813703
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine (CID 84808311) is 2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine is Cc1ccc(C)c(CC2CCCN2)c1Br.
What is the InChIKey of 2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine?
The InChIKey is HNUJKRGPFFTWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-9-5-6-10(2)13(14)12(9)8-11-4-3-7-15-11/h5-6,11,15H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine?
2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine has a molecular weight of 268.20 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84808311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).