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

C14H20BrNO — CID 84815949

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

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

3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine (PubChem CID 84815949) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine
PubChem CID84815949
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine
SMILESCOc1c(Br)cc(C)c(C)c1CC1CCNC1
InChIInChI=1S/C14H20BrNO/c1-9-6-13(15)14(17-3)12(10(9)2)7-11-4-5-16-8-11/h6,11,16H,4-5,7-8H2,1-3H3
InChIKeySVTXUILACOJTRC-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

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Related Compounds

3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine
CID 84815947
3-[(3-bromo-2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 84812895
3-bromo-2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)phenol
CID 84812896
4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117497390
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 117497386
3-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812866
2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208742
3-[(3-bromo-4-fluoro-5-methylphenyl)methyl]pyrrolidine
CID 84809637
2-bromo-6-methyl-4-(pyrrolidin-3-ylmethyl)phenol
CID 84808877
3-[(2-bromo-4-methylphenyl)methyl]pyrrolidine
CID 84804659
3-[(2-chloro-3-methoxy-4-methylphenyl)methyl]pyrrolidine
CID 84800053

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine (CID 84815949) is 3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine is COc1c(Br)cc(C)c(C)c1CC1CCNC1.
What is the InChIKey of 3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine?
The InChIKey is SVTXUILACOJTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9-6-13(15)14(17-3)12(10(9)2)7-11-4-5-16-8-11/h6,11,16H,4-5,7-8H2,1-3H3.
What are the key properties of 3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine?
3-[(3-bromo-2-methoxy-5,6-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-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84815949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).