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

C12H16FNO — CID 84676979

IUPAC3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
SMILESCOc1cc(C)c(F)cc1C1CCNC1
InChIInChI=1S/C12H16FNO/c1-8-5-12(15-2)10(6-11(8)13)9-3-4-14-7-9/h5-6,9,14H,3-4,7H2,1-2H3
InChIKeyYAHGYXSDEVWGFD-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.22
Rot. Bonds2

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

3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine (PubChem CID 84676979) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
PubChem CID84676979
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
SMILESCOc1cc(C)c(F)cc1C1CCNC1
InChIInChI=1S/C12H16FNO/c1-8-5-12(15-2)10(6-11(8)13)9-3-4-14-7-9/h5-6,9,14H,3-4,7H2,1-2H3
InChIKeyYAHGYXSDEVWGFD-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-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine
CID 82498615
3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine
CID 117421917
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
(3S)-3-[5-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 162471999
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772
3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 117386417
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine?
The IUPAC name of 3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine (CID 84676979) is 3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine is COc1cc(C)c(F)cc1C1CCNC1.
What is the InChIKey of 3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine?
The InChIKey is YAHGYXSDEVWGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-5-12(15-2)10(6-11(8)13)9-3-4-14-7-9/h5-6,9,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine?
3-(5-fluoro-2-methoxy-4-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-2-methoxy-4-methylphenyl)pyrrolidine is sourced from PubChem (CID 84676979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).