Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate

Name: Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₆FNO₃ — CID 112615251

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate

SMILESCOC(=O)CCOc1c(F)cccc1CCN

InChIInChI=1S/C12H16FNO3/c1-16-11(15)6-8-17-12-9(5-7-14)3-2-4-10(12)13/h2-4H,5-8,14H2,1H3

InChIKeySJVNWPOGOVWDLD-UHFFFAOYSA-N

MW241.26 g/mol

LogP1.27

Rot. Bonds6

About Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate

Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate (PubChem CID 112615251) has the molecular formula C₁₂H₁₆FNO₃ and a molecular weight of 241.26 g/mol. Its IUPAC name is methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate.

Molecular Properties

Compound Name	Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
PubChem CID	112615251
Molecular Formula	C₁₂H₁₆FNO₃
Molecular Weight	241.26 g/mol
Exact Mass	241.11
IUPAC Name	methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
SMILES	COC(=O)CCOc1c(F)cccc1CCN
InChI	InChI=1S/C12H16FNO3/c1-16-11(15)6-8-17-12-9(5-7-14)3-2-4-10(12)13/h2-4H,5-8,14H2,1H3
InChIKey	SJVNWPOGOVWDLD-UHFFFAOYSA-N
XLogP	1.27
TPSA	61.55 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.26
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate?

The IUPAC name of Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate (CID 112615251) is methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate.

What is the SMILES notation for Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate?

The canonical SMILES for Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate is COC(=O)CCOc1c(F)cccc1CCN.

What is the InChIKey of Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate?

The InChIKey is SJVNWPOGOVWDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-16-11(15)6-8-17-12-9(5-7-14)3-2-4-10(12)13/h2-4H,5-8,14H2,1H3.

What are the key properties of Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate?

Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate has a molecular weight of 241.26 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate is sourced from PubChem (CID 112615251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 112615251 — identifiers, structure, computed properties (public domain)

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