2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine

C12H16BrNO2 — CID 117460943

IUPAC2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(Br)c(C2CCCN2)c(OC)c1
InChIInChI=1S/C12H16BrNO2/c1-15-8-6-9(13)12(11(7-8)16-2)10-4-3-5-14-10/h6-7,10,14H,3-5H2,1-2H3
InChIKeyYHFWTSDAAQRBTK-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.89
Rot. Bonds3

About 2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine

2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine (PubChem CID 117460943) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine
PubChem CID117460943
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(Br)c(C2CCCN2)c(OC)c1
InChIInChI=1S/C12H16BrNO2/c1-15-8-6-9(13)12(11(7-8)16-2)10-4-3-5-14-10/h6-7,10,14H,3-5H2,1-2H3
InChIKeyYHFWTSDAAQRBTK-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
2-(2,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 130144394
5-bromo-2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486236
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
CID 84713802
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291
2-[(2S)-azetidin-2-yl]-3,5-dimethoxyphenol;hydrochloride
CID 171196834
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole
CID 82622777
2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol
CID 131482992
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine (CID 117460943) is 2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine is COc1cc(Br)c(C2CCCN2)c(OC)c1.
What is the InChIKey of 2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine?
The InChIKey is YHFWTSDAAQRBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-15-8-6-9(13)12(11(7-8)16-2)10-4-3-5-14-10/h6-7,10,14H,3-5H2,1-2H3.
What are the key properties of 2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine?
2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine has a molecular weight of 286.17 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 117460943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).