2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine

C14H20FNO2 — CID 117386317

IUPAC2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine
SMILESCOc1c(F)cc(C)c(CC2CCCN2)c1OC
InChIInChI=1S/C14H20FNO2/c1-9-7-12(15)14(18-3)13(17-2)11(9)8-10-5-4-6-16-10/h7,10,16H,4-6,8H2,1-3H3
InChIKeyDUMOPPYYZAGITI-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.45
Rot. Bonds4

About 2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine

2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine (PubChem CID 117386317) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine
PubChem CID117386317
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine
SMILESCOc1c(F)cc(C)c(CC2CCCN2)c1OC
InChIInChI=1S/C14H20FNO2/c1-9-7-12(15)14(18-3)13(17-2)11(9)8-10-5-4-6-16-10/h7,10,16H,4-6,8H2,1-3H3
InChIKeyDUMOPPYYZAGITI-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
CID 117386337
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360
2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
CID 117387647
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
2-[(6-bromo-3-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 117465019
2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117432392
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-fluoro-3-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 84799673
3-fluoro-2-methoxy-5-(pyrrolidin-2-ylmethyl)benzonitrile
CID 117340394

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine (CID 117386317) is 2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine is COc1c(F)cc(C)c(CC2CCCN2)c1OC.
What is the InChIKey of 2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine?
The InChIKey is DUMOPPYYZAGITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-7-12(15)14(18-3)13(17-2)11(9)8-10-5-4-6-16-10/h7,10,16H,4-6,8H2,1-3H3.
What are the key properties of 2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine?
2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine has a molecular weight of 253.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117386317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).