2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine

C12H16BrNO — CID 117428399

IUPAC2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1cccc(Br)c1C1(C)CCCN1
InChIInChI=1S/C12H16BrNO/c1-12(7-4-8-14-12)11-9(13)5-3-6-10(11)15-2/h3,5-6,14H,4,7-8H2,1-2H3
InChIKeyGWULEPAWJAUSMF-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.06
Rot. Bonds2

About 2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine

2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine (PubChem CID 117428399) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
PubChem CID117428399
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1cccc(Br)c1C1(C)CCCN1
InChIInChI=1S/C12H16BrNO/c1-12(7-4-8-14-12)11-9(13)5-3-6-10(11)15-2/h3,5-6,14H,4,7-8H2,1-2H3
InChIKeyGWULEPAWJAUSMF-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine 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

2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpyrrolidine
CID 82622961
2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
CID 117320275
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870
2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117465124
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117347144
3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117356265
2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117480566
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
CID 117388194
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine
CID 117116896

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine (CID 117428399) is 2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine is COc1cccc(Br)c1C1(C)CCCN1.
What is the InChIKey of 2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine?
The InChIKey is GWULEPAWJAUSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(7-4-8-14-12)11-9(13)5-3-6-10(11)15-2/h3,5-6,14H,4,7-8H2,1-2H3.
What are the key properties of 2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine?
2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine has a molecular weight of 270.17 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117428399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).