3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine

C13H19NO — CID 82492093

IUPAC3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
SMILESCOc1cc(C)cc(C)c1C1CCNC1
InChIInChI=1S/C13H19NO/c1-9-6-10(2)13(12(7-9)15-3)11-4-5-14-8-11/h6-7,11,14H,4-5,8H2,1-3H3
InChIKeyCTWDYZCZLVYCJH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.39
Rot. Bonds2

About 3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine

3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine (PubChem CID 82492093) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
PubChem CID82492093
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
SMILESCOc1cc(C)cc(C)c1C1CCNC1
InChIInChI=1S/C13H19NO/c1-9-6-10(2)13(12(7-9)15-3)11-4-5-14-8-11/h6-7,11,14H,4-5,8H2,1-3H3
InChIKeyCTWDYZCZLVYCJH-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole
CID 84637342
3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
CID 84808969
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine
CID 171085869
3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
CID 117356276
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine
CID 106681186

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine?
The IUPAC name of 3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine (CID 82492093) is 3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine?
The canonical SMILES for 3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine is COc1cc(C)cc(C)c1C1CCNC1.
What is the InChIKey of 3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine?
The InChIKey is CTWDYZCZLVYCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-10(2)13(12(7-9)15-3)11-4-5-14-8-11/h6-7,11,14H,4-5,8H2,1-3H3.
What are the key properties of 3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine?
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine is sourced from PubChem (CID 82492093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).