3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine

C12H16FNO — CID 84780694

IUPAC3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
SMILESCOc1cc(C)c(C2CCNC2)cc1F
InChIInChI=1S/C12H16FNO/c1-8-5-12(15-2)11(13)6-10(8)9-3-4-14-7-9/h5-6,9,14H,3-4,7H2,1-2H3
InChIKeyFMRPONYAAWMJFC-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.22
Rot. Bonds2

About 3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine

3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine (PubChem CID 84780694) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
PubChem CID84780694
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
SMILESCOc1cc(C)c(C2CCNC2)cc1F
InChIInChI=1S/C12H16FNO/c1-8-5-12(15-2)11(13)6-10(8)9-3-4-14-7-9/h5-6,9,14H,3-4,7H2,1-2H3
InChIKeyFMRPONYAAWMJFC-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine
CID 82498615
3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 117386417
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
CID 84792614
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
3-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]pyrrolidine
CID 117439944
3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84789080
3-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)pyrrolidine
CID 117465146
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine?
The IUPAC name of 3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine (CID 84780694) is 3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine is COc1cc(C)c(C2CCNC2)cc1F.
What is the InChIKey of 3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine?
The InChIKey is FMRPONYAAWMJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-5-12(15-2)11(13)6-10(8)9-3-4-14-7-9/h5-6,9,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine?
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine is sourced from PubChem (CID 84780694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).