2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine

C14H21NO2 — CID 117343013

IUPAC2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
SMILESCOc1cc(OC)c(C2(C)CCCN2)cc1C
InChIInChI=1S/C14H21NO2/c1-10-8-11(14(2)6-5-7-15-14)13(17-4)9-12(10)16-3/h8-9,15H,5-7H2,1-4H3
InChIKeyKZKPENXLDXDVRD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.61
Rot. Bonds3

About 2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine

2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine (PubChem CID 117343013) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
PubChem CID117343013
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
SMILESCOc1cc(OC)c(C2(C)CCCN2)cc1C
InChIInChI=1S/C14H21NO2/c1-10-8-11(14(2)6-5-7-15-14)13(17-4)9-12(10)16-3/h8-9,15H,5-7H2,1-4H3
InChIKeyKZKPENXLDXDVRD-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-2-methylpyrrolidine
CID 117455699
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(5-methoxy-2-methylphenyl)-2-methylpyrrolidine
CID 117293900
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
CID 117405563
5-methoxy-6-(2-methylpyrrolidin-2-yl)-1,3-benzoxathiol-2-one
CID 117417457
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
CID 117457126
2-(2,4-difluoro-5-methylphenyl)-2-methylpyrrolidine
CID 117301639
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine (CID 117343013) is 2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine is COc1cc(OC)c(C2(C)CCCN2)cc1C.
What is the InChIKey of 2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine?
The InChIKey is KZKPENXLDXDVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-8-11(14(2)6-5-7-15-14)13(17-4)9-12(10)16-3/h8-9,15H,5-7H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine?
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117343013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).