3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine

C13H18ClNO2 — CID 117392479

IUPAC3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
SMILESCOc1cc(C)c(OC)c(Cl)c1C1CCNC1
InChIInChI=1S/C13H18ClNO2/c1-8-6-10(16-2)11(9-4-5-15-7-9)12(14)13(8)17-3/h6,9,15H,4-5,7H2,1-3H3
InChIKeyUUWVGGRCYADMIV-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.74
Rot. Bonds3

About 3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine

3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine (PubChem CID 117392479) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
PubChem CID117392479
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
SMILESCOc1cc(C)c(OC)c(Cl)c1C1CCNC1
InChIInChI=1S/C13H18ClNO2/c1-8-6-10(16-2)11(9-4-5-15-7-9)12(14)13(8)17-3/h6,9,15H,4-5,7H2,1-3H3
InChIKeyUUWVGGRCYADMIV-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
CID 117356276
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
CID 169498562
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)pyrrolidine
CID 84704148
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549
3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
CID 117382800
3-(5-chloro-2,3-dimethoxy-6-nitrophenyl)pyrrolidine
CID 165355585

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine?
The IUPAC name of 3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine (CID 117392479) is 3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine is COc1cc(C)c(OC)c(Cl)c1C1CCNC1.
What is the InChIKey of 3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine?
The InChIKey is UUWVGGRCYADMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8-6-10(16-2)11(9-4-5-15-7-9)12(14)13(8)17-3/h6,9,15H,4-5,7H2,1-3H3.
What are the key properties of 3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine?
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine has a molecular weight of 255.74 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine is sourced from PubChem (CID 117392479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).