3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine

C14H20FNO2 — CID 117386417

IUPAC3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
SMILESCOc1cc(C2CCNC2)c(F)cc1OC(C)C
InChIInChI=1S/C14H20FNO2/c1-9(2)18-14-7-12(15)11(6-13(14)17-3)10-4-5-16-8-10/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyVBUSPJXCMVZUGP-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.70
Rot. Bonds4

About 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine

3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine (PubChem CID 117386417) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
PubChem CID117386417
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
SMILESCOc1cc(C2CCNC2)c(F)cc1OC(C)C
InChIInChI=1S/C14H20FNO2/c1-9(2)18-14-7-12(15)11(6-13(14)17-3)10-4-5-16-8-10/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyVBUSPJXCMVZUGP-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
3-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]pyrrolidine
CID 117439944
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549
3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117296630
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine
CID 117430883
3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772
3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine
CID 117421917
3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117468431

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine?
The IUPAC name of 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine (CID 117386417) is 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine?
The canonical SMILES for 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine is COc1cc(C2CCNC2)c(F)cc1OC(C)C.
What is the InChIKey of 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine?
The InChIKey is VBUSPJXCMVZUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(2)18-14-7-12(15)11(6-13(14)17-3)10-4-5-16-8-10/h6-7,9-10,16H,4-5,8H2,1-3H3.
What are the key properties of 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine?
3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine has a molecular weight of 253.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine is sourced from PubChem (CID 117386417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).