propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate

C13H18FNO3 — CID 112615221

IUPACpropan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate
SMILESCC(C)OC(=O)COc1c(F)cccc1CCN
InChIInChI=1S/C13H18FNO3/c1-9(2)18-12(16)8-17-13-10(6-7-15)4-3-5-11(13)14/h3-5,9H,6-8,15H2,1-2H3
InChIKeyGJSYJQVTCLWMTG-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.66
Rot. Bonds6

About propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate

propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate (PubChem CID 112615221) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate
PubChem CID112615221
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Namepropan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate
SMILESCC(C)OC(=O)COc1c(F)cccc1CCN
InChIInChI=1S/C13H18FNO3/c1-9(2)18-12(16)8-17-13-10(6-7-15)4-3-5-11(13)14/h3-5,9H,6-8,15H2,1-2H3
InChIKeyGJSYJQVTCLWMTG-UHFFFAOYSA-N
XLogP1.66
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112615263
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 115957905
methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
CID 112615251
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 112615213
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376
1-(2,6-difluorophenoxy)-3-methylbutan-2-one
CID 81268709
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate?
The IUPAC name of propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate (CID 112615221) is propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate is CC(C)OC(=O)COc1c(F)cccc1CCN.
What is the InChIKey of propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate?
The InChIKey is GJSYJQVTCLWMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9(2)18-12(16)8-17-13-10(6-7-15)4-3-5-11(13)14/h3-5,9H,6-8,15H2,1-2H3.
What are the key properties of propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate?
propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate has a molecular weight of 255.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate is sourced from PubChem (CID 112615221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).