3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine

C14H20BrNO — CID 84815947

IUPAC3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine
SMILESCOc1c(C)cc(C)c(Br)c1CC1CCNC1
InChIInChI=1S/C14H20BrNO/c1-9-6-10(2)14(17-3)12(13(9)15)7-11-4-5-16-8-11/h6,11,16H,4-5,7-8H2,1-3H3
InChIKeyOBNWGVPWCBPDMU-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.23
Rot. Bonds3

About 3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine

3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine (PubChem CID 84815947) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine
PubChem CID84815947
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine
SMILESCOc1c(C)cc(C)c(Br)c1CC1CCNC1
InChIInChI=1S/C14H20BrNO/c1-9-6-10(2)14(17-3)12(13(9)15)7-11-4-5-16-8-11/h6,11,16H,4-5,7-8H2,1-3H3
InChIKeyOBNWGVPWCBPDMU-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]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

4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 117497386
3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 84815949
3-[(3-bromo-2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 84812895
4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117497390
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812866
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
3-bromo-2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)phenol
CID 84812896
3-[(2-chloro-3-methoxy-4-methylphenyl)methyl]pyrrolidine
CID 84800053
3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
CID 84799616
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
3-[(4-bromo-6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 84815880

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine (CID 84815947) is 3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine is COc1c(C)cc(C)c(Br)c1CC1CCNC1.
What is the InChIKey of 3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine?
The InChIKey is OBNWGVPWCBPDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9-6-10(2)14(17-3)12(13(9)15)7-11-4-5-16-8-11/h6,11,16H,4-5,7-8H2,1-3H3.
What are the key properties of 3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine?
3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine has a molecular weight of 298.22 g/mol, XLogP of 3.23, 3 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-3,5-dimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84815947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).