ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate

C15H22FNO3 — CID 115957916

IUPACethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate
SMILESCCCC(Oc1c(F)cccc1CCN)C(=O)OCC
InChIInChI=1S/C15H22FNO3/c1-3-6-13(15(18)19-4-2)20-14-11(9-10-17)7-5-8-12(14)16/h5,7-8,13H,3-4,6,9-10,17H2,1-2H3
InChIKeyUJELDDRGIPOZGH-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.44
Rot. Bonds8

About ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate

ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate (PubChem CID 115957916) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate
PubChem CID115957916
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Nameethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate
SMILESCCCC(Oc1c(F)cccc1CCN)C(=O)OCC
InChIInChI=1S/C15H22FNO3/c1-3-6-13(15(18)19-4-2)20-14-11(9-10-17)7-5-8-12(14)16/h5,7-8,13H,3-4,6,9-10,17H2,1-2H3
InChIKeyUJELDDRGIPOZGH-UHFFFAOYSA-N
XLogP2.44
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-aminoethyl)-6-methylphenoxy]pentanoic acid
CID 112614810
ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate
CID 112614882
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid
CID 64660569
ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
CID 107711619
2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide
CID 112613193
ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate
CID 107700382
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112615263
2-(2-fluoro-6-nitrophenoxy)pentanehydrazide
CID 104832467
2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid
CID 83037756
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate?
The IUPAC name of ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate (CID 115957916) is ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate.
What is the SMILES notation for ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate?
The canonical SMILES for ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate is CCCC(Oc1c(F)cccc1CCN)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate?
The InChIKey is UJELDDRGIPOZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-3-6-13(15(18)19-4-2)20-14-11(9-10-17)7-5-8-12(14)16/h5,7-8,13H,3-4,6,9-10,17H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate?
ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate has a molecular weight of 283.34 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate is sourced from PubChem (CID 115957916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).