2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine

C14H21NO — CID 117313039

IUPAC2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
SMILESCOc1c(C)ccc(C2(C)CCCN2)c1C
InChIInChI=1S/C14H21NO/c1-10-6-7-12(11(2)13(10)16-4)14(3)8-5-9-15-14/h6-7,15H,5,8-9H2,1-4H3
InChIKeyGIIGTKPIFCWCJF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds2

About 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine

2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine (PubChem CID 117313039) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
PubChem CID117313039
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
SMILESCOc1c(C)ccc(C2(C)CCCN2)c1C
InChIInChI=1S/C14H21NO/c1-10-6-7-12(11(2)13(10)16-4)14(3)8-5-9-15-14/h6-7,15H,5,8-9H2,1-4H3
InChIKeyGIIGTKPIFCWCJF-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(5-methoxy-2-methylphenyl)-2-methylpyrrolidine
CID 117293900
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine
CID 117448348
2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine
CID 117402832
2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine
CID 82622635
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine (CID 117313039) is 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine is COc1c(C)ccc(C2(C)CCCN2)c1C.
What is the InChIKey of 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine?
The InChIKey is GIIGTKPIFCWCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-7-12(11(2)13(10)16-4)14(3)8-5-9-15-14/h6-7,15H,5,8-9H2,1-4H3.
What are the key properties of 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine?
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117313039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).