3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine

C13H19NO2 — CID 84686824

IUPAC3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
SMILESCOc1ccc(C2CCNC2)c(C)c1OC
InChIInChI=1S/C13H19NO2/c1-9-11(10-6-7-14-8-10)4-5-12(15-2)13(9)16-3/h4-5,10,14H,6-8H2,1-3H3
InChIKeyJILKYBDXAUFMTQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.09
Rot. Bonds3

About 3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine

3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine (PubChem CID 84686824) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
PubChem CID84686824
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
SMILESCOc1ccc(C2CCNC2)c(C)c1OC
InChIInChI=1S/C13H19NO2/c1-9-11(10-6-7-14-8-10)4-5-12(15-2)13(9)16-3/h4-5,10,14H,6-8H2,1-3H3
InChIKeyJILKYBDXAUFMTQ-UHFFFAOYSA-N
XLogP2.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
3-(2,4-dimethoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117386712
3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117377277
3-(4-methoxy-2,3-dimethylphenyl)azetidine
CID 82281458
4-(2,4-dimethoxy-3-methylphenyl)azepane
CID 82297126
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117435702
3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772
3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine
CID 117381710

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine?
The IUPAC name of 3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine (CID 84686824) is 3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine is COc1ccc(C2CCNC2)c(C)c1OC.
What is the InChIKey of 3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine?
The InChIKey is JILKYBDXAUFMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-11(10-6-7-14-8-10)4-5-12(15-2)13(9)16-3/h4-5,10,14H,6-8H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine?
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine is sourced from PubChem (CID 84686824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).