3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine

C12H16BrNO — CID 84808969

IUPAC3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
SMILESCOc1ccc(C)c(Br)c1C1CCNC1
InChIInChI=1S/C12H16BrNO/c1-8-3-4-10(15-2)11(12(8)13)9-5-6-14-7-9/h3-4,9,14H,5-7H2,1-2H3
InChIKeyYENVNELTHKAREO-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.84
Rot. Bonds2

About 3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine

3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine (PubChem CID 84808969) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
PubChem CID84808969
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
SMILESCOc1ccc(C)c(Br)c1C1CCNC1
InChIInChI=1S/C12H16BrNO/c1-8-3-4-10(15-2)11(12(8)13)9-5-6-14-7-9/h3-4,9,14H,5-7H2,1-2H3
InChIKeyYENVNELTHKAREO-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
CID 84813026
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
CID 169498266
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117468431
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
CID 84772859
3-(2-bromo-6-methylphenyl)pyrrolidine
CID 117103930
4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine
CID 117480591

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine?
The IUPAC name of 3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine (CID 84808969) is 3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine is COc1ccc(C)c(Br)c1C1CCNC1.
What is the InChIKey of 3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine?
The InChIKey is YENVNELTHKAREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-3-4-10(15-2)11(12(8)13)9-5-6-14-7-9/h3-4,9,14H,5-7H2,1-2H3.
What are the key properties of 3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine?
3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine has a molecular weight of 270.17 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine is sourced from PubChem (CID 84808969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).