2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine

C14H20FNO3 — CID 117426521

IUPAC2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
SMILESCOc1cc(C2(C)CCCN2)c(OC)c(F)c1OC
InChIInChI=1S/C14H20FNO3/c1-14(6-5-7-16-14)9-8-10(17-2)13(19-4)11(15)12(9)18-3/h8,16H,5-7H2,1-4H3
InChIKeySUCJGILDUOGGDD-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.45
Rot. Bonds4

About 2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine

2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine (PubChem CID 117426521) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
PubChem CID117426521
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
SMILESCOc1cc(C2(C)CCCN2)c(OC)c(F)c1OC
InChIInChI=1S/C14H20FNO3/c1-14(6-5-7-16-14)9-8-10(17-2)13(19-4)11(15)12(9)18-3/h8,16H,5-7H2,1-4H3
InChIKeySUCJGILDUOGGDD-UHFFFAOYSA-N
XLogP2.45
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine
CID 117417338
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224
2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 117396154
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine (CID 117426521) is 2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine is COc1cc(C2(C)CCCN2)c(OC)c(F)c1OC.
What is the InChIKey of 2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine?
The InChIKey is SUCJGILDUOGGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(6-5-7-16-14)9-8-10(17-2)13(19-4)11(15)12(9)18-3/h8,16H,5-7H2,1-4H3.
What are the key properties of 2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine?
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine has a molecular weight of 269.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117426521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).