3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine

C14H21NO3 — CID 117381710

IUPAC3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine
SMILESCOCc1ccc(C2CCNC2)c(OC)c1OC
InChIInChI=1S/C14H21NO3/c1-16-9-11-4-5-12(10-6-7-15-8-10)14(18-3)13(11)17-2/h4-5,10,15H,6-9H2,1-3H3
InChIKeyXYJHVRAEBCLOGY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.93
Rot. Bonds5

About 3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine

3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine (PubChem CID 117381710) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine
PubChem CID117381710
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine
SMILESCOCc1ccc(C2CCNC2)c(OC)c1OC
InChIInChI=1S/C14H21NO3/c1-16-9-11-4-5-12(10-6-7-15-8-10)14(18-3)13(11)17-2/h4-5,10,15H,6-9H2,1-3H3
InChIKeyXYJHVRAEBCLOGY-UHFFFAOYSA-N
XLogP1.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methoxy-3-(methoxymethyl)phenyl]piperidine
CID 117343038
3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine
CID 117351158
3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine
CID 117299003
3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine
CID 117417679
3-(2,4-dimethoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117386712
3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117377277
3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
CID 117412926
2,3-dimethoxy-4-pyrrolidin-3-ylpyridine
CID 84676139
4-(4-chloro-2,3-dimethoxyphenyl)piperidine
CID 117392507
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine?
The IUPAC name of 3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine (CID 117381710) is 3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine is COCc1ccc(C2CCNC2)c(OC)c1OC.
What is the InChIKey of 3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine?
The InChIKey is XYJHVRAEBCLOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-9-11-4-5-12(10-6-7-15-8-10)14(18-3)13(11)17-2/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of 3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine?
3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine has a molecular weight of 251.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine is sourced from PubChem (CID 117381710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).