3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine

C12H16BrNO2 — CID 82134857

IUPAC3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(C2CCNC2)c(OC)cc1Br
InChIInChI=1S/C12H16BrNO2/c1-15-11-6-10(13)12(16-2)5-9(11)8-3-4-14-7-8/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyBSXIERMNSJEFOE-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.54
Rot. Bonds3

About 3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine

3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine (PubChem CID 82134857) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
PubChem CID82134857
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(C2CCNC2)c(OC)cc1Br
InChIInChI=1S/C12H16BrNO2/c1-15-11-6-10(13)12(16-2)5-9(11)8-3-4-14-7-8/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyBSXIERMNSJEFOE-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromo-2,5-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

(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine
CID 117421917
3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-(2-bromo-5-methoxyphenyl)pyrrolidine
CID 83730911
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine
CID 117499628
4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine
CID 79321380
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrrolidine
CID 79403216

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine (CID 82134857) is 3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine is COc1cc(C2CCNC2)c(OC)cc1Br.
What is the InChIKey of 3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine?
The InChIKey is BSXIERMNSJEFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-15-11-6-10(13)12(16-2)5-9(11)8-3-4-14-7-8/h5-6,8,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine?
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine has a molecular weight of 286.17 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 82134857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).