2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine

C13H18BrNO2 — CID 117483291

IUPAC2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
SMILESCOc1c(Br)cc(C2CCCN2)c(C)c1OC
InChIInChI=1S/C13H18BrNO2/c1-8-9(11-5-4-6-15-11)7-10(14)13(17-3)12(8)16-2/h7,11,15H,4-6H2,1-3H3
InChIKeyFNHCCIXYAXYGPZ-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.20
Rot. Bonds3

About 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine

2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine (PubChem CID 117483291) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
PubChem CID117483291
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
SMILESCOc1c(Br)cc(C2CCCN2)c(C)c1OC
InChIInChI=1S/C13H18BrNO2/c1-8-9(11-5-4-6-15-11)7-10(14)13(17-3)12(8)16-2/h7,11,15H,4-6H2,1-3H3
InChIKeyFNHCCIXYAXYGPZ-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161
2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
CID 117428409
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
CID 84686830
2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol
CID 84698765
2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117480070
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117486587
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine
CID 165356724

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine?
The IUPAC name of 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine (CID 117483291) is 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine?
The canonical SMILES for 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine is COc1c(Br)cc(C2CCCN2)c(C)c1OC.
What is the InChIKey of 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine?
The InChIKey is FNHCCIXYAXYGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-8-9(11-5-4-6-15-11)7-10(14)13(17-3)12(8)16-2/h7,11,15H,4-6H2,1-3H3.
What are the key properties of 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine?
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine has a molecular weight of 300.20 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine is sourced from PubChem (CID 117483291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).