3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine

C13H18FNO2 — CID 84799616

IUPAC3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccc(OC)c(CC2CCNC2)c1F
InChIInChI=1S/C13H18FNO2/c1-16-11-3-4-12(17-2)13(14)10(11)7-9-5-6-15-8-9/h3-4,9,15H,5-8H2,1-2H3
InChIKeyXCMFICGNWCWWAF-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.99
Rot. Bonds4

About 3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine

3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine (PubChem CID 84799616) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
PubChem CID84799616
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccc(OC)c(CC2CCNC2)c1F
InChIInChI=1S/C13H18FNO2/c1-16-11-3-4-12(17-2)13(14)10(11)7-9-5-6-15-8-9/h3-4,9,15H,5-8H2,1-2H3
InChIKeyXCMFICGNWCWWAF-UHFFFAOYSA-N
XLogP1.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84791339
2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
CID 84799633
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
3-[(2-bromo-3,6-dimethoxyphenyl)methyl]piperidine
CID 117499754
3-[(2-ethyl-3,6-dimethoxyphenyl)methyl]piperidine
CID 117413501
3-[(2-chloro-3,6-dimethoxyphenyl)methyl]piperidine
CID 117427851
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
3-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812866
3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
CID 84812911
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine (CID 84799616) is 3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine is COc1ccc(OC)c(CC2CCNC2)c1F.
What is the InChIKey of 3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine?
The InChIKey is XCMFICGNWCWWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-11-3-4-12(17-2)13(14)10(11)7-9-5-6-15-8-9/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of 3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine?
3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine has a molecular weight of 239.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84799616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).