2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine

C12H16BrN — CID 117388194

IUPAC2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
SMILESCc1cccc(C2(C)CCCN2)c1Br
InChIInChI=1S/C12H16BrN/c1-9-5-3-6-10(11(9)13)12(2)7-4-8-14-12/h3,5-6,14H,4,7-8H2,1-2H3
InChIKeyJLFSOJVRQWFESX-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.36
Rot. Bonds1

About 2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine

2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine (PubChem CID 117388194) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
PubChem CID117388194
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
SMILESCc1cccc(C2(C)CCCN2)c1Br
InChIInChI=1S/C12H16BrN/c1-9-5-3-6-10(11(9)13)12(2)7-4-8-14-12/h3,5-6,14H,4,7-8H2,1-2H3
InChIKeyJLFSOJVRQWFESX-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
2-(2,3-dihydro-1H-inden-4-yl)-2-methylpyrrolidine
CID 117290346
2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
CID 117457126
2-bromo-3,4-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
CID 117457129
2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117324202
3-methyl-7-(2-methylpyrrolidin-2-yl)-1,2-benzoxazole
CID 117308417
2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117320154
2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
CID 117301634
2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117437562
5-(2-methylpyrrolidin-2-yl)quinoline
CID 81231992
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine (CID 117388194) is 2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine is Cc1cccc(C2(C)CCCN2)c1Br.
What is the InChIKey of 2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine?
The InChIKey is JLFSOJVRQWFESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-9-5-3-6-10(11(9)13)12(2)7-4-8-14-12/h3,5-6,14H,4,7-8H2,1-2H3.
What are the key properties of 2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine?
2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine has a molecular weight of 254.17 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117388194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).