2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine

C12H16FNO — CID 117298992

IUPAC2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1ccc(F)c(C2(C)CCCN2)c1
InChIInChI=1S/C12H16FNO/c1-12(6-3-7-14-12)10-8-9(15-2)4-5-11(10)13/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyYMGOCORXICQKOV-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.43
Rot. Bonds2

About 2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine

2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine (PubChem CID 117298992) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
PubChem CID117298992
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1ccc(F)c(C2(C)CCCN2)c1
InChIInChI=1S/C12H16FNO/c1-12(6-3-7-14-12)10-8-9(15-2)4-5-11(10)13/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyYMGOCORXICQKOV-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxy-2-methylphenyl)-2-methylpyrrolidine
CID 117293900
4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline
CID 117341086
2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
CID 117405565
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine
CID 117351178
2-(4-methoxy-2-methylphenyl)-2-methylazepane
CID 79118168
5-methoxy-1-methyl-3-(2-methylpyrrolidin-2-yl)indole
CID 82664697
7-methoxy-4-(2-methylpyrrolidin-2-yl)quinoline
CID 82664348
2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
CID 117457126
2-(2,4-difluoro-5-methylphenyl)-2-methylpyrrolidine
CID 117301639
2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine
CID 117301641
2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117355185

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine (CID 117298992) is 2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine is COc1ccc(F)c(C2(C)CCCN2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine?
The InChIKey is YMGOCORXICQKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(6-3-7-14-12)10-8-9(15-2)4-5-11(10)13/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine?
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117298992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).