2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine

C14H20FNO2 — CID 117386391

IUPAC2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
SMILESCOc1c(C)cc(C2(C)CCCN2)c(F)c1OC
InChIInChI=1S/C14H20FNO2/c1-9-8-10(14(2)6-5-7-16-14)11(15)13(18-4)12(9)17-3/h8,16H,5-7H2,1-4H3
InChIKeyCWKDVHWMZDYTHM-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.75
Rot. Bonds3

About 2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine

2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine (PubChem CID 117386391) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
PubChem CID117386391
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
SMILESCOc1c(C)cc(C2(C)CCCN2)c(F)c1OC
InChIInChI=1S/C14H20FNO2/c1-9-8-10(14(2)6-5-7-16-14)11(15)13(18-4)12(9)17-3/h8,16H,5-7H2,1-4H3
InChIKeyCWKDVHWMZDYTHM-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013
2-(2,4-difluoro-5-methylphenyl)-2-methylpyrrolidine
CID 117301639
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol
CID 117361379
2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 117396154
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
CID 117116945
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine
CID 117301641

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine (CID 117386391) is 2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine is COc1c(C)cc(C2(C)CCCN2)c(F)c1OC.
What is the InChIKey of 2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine?
The InChIKey is CWKDVHWMZDYTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-8-10(14(2)6-5-7-16-14)11(15)13(18-4)12(9)17-3/h8,16H,5-7H2,1-4H3.
What are the key properties of 2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine?
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine has a molecular weight of 253.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117386391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).