methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate

C11H14FNO3 — CID 107686567

IUPACmethyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
SMILESCNCc1ccc(OCC(=O)OC)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-13-6-8-3-4-10(9(12)5-8)16-7-11(14)15-2/h3-5,13H,6-7H2,1-2H3
InChIKeyADOIJBPPUDBEFZ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.10
Rot. Bonds5

About methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate

methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate (PubChem CID 107686567) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
PubChem CID107686567
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Namemethyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
SMILESCNCc1ccc(OCC(=O)OC)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-13-6-8-3-4-10(9(12)5-8)16-7-11(14)15-2/h3-5,13H,6-7H2,1-2H3
InChIKeyADOIJBPPUDBEFZ-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 107686457
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 107686453
N-cyclohexyl-2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 107686419
1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686628
1,1,1-trifluoro-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686792
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol
CID 107686561
1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686671
4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686703

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate?
The IUPAC name of methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate (CID 107686567) is methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate is CNCc1ccc(OCC(=O)OC)c(F)c1.
What is the InChIKey of methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate?
The InChIKey is ADOIJBPPUDBEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-13-6-8-3-4-10(9(12)5-8)16-7-11(14)15-2/h3-5,13H,6-7H2,1-2H3.
What are the key properties of methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate?
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate has a molecular weight of 227.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate is sourced from PubChem (CID 107686567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).