ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate

C14H20FNO3 — CID 107700382

IUPACethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccc(F)cc1CCN
InChIInChI=1S/C14H20FNO3/c1-3-12(14(17)18-4-2)19-13-6-5-11(15)9-10(13)7-8-16/h5-6,9,12H,3-4,7-8,16H2,1-2H3
InChIKeyQSYIMBKPQKSYBD-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.05
Rot. Bonds7

About ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate

ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate (PubChem CID 107700382) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate
PubChem CID107700382
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccc(F)cc1CCN
InChIInChI=1S/C14H20FNO3/c1-3-12(14(17)18-4-2)19-13-6-5-11(15)9-10(13)7-8-16/h5-6,9,12H,3-4,7-8,16H2,1-2H3
InChIKeyQSYIMBKPQKSYBD-UHFFFAOYSA-N
XLogP2.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate
CID 64660568
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107700380
ethyl 2-(5-bromo-2-fluorophenoxy)butanoate
CID 114671561
2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide
CID 107695506
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide
CID 107700208
2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide
CID 107695830
ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate
CID 112614882
ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate
CID 124503178
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]butanoate
CID 64663407
ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
CID 64669299
ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate
CID 115957916
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one
CID 116707692

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate?
The IUPAC name of ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate (CID 107700382) is ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate.
What is the SMILES notation for ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate?
The canonical SMILES for ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate is CCOC(=O)C(CC)Oc1ccc(F)cc1CCN.
What is the InChIKey of ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate?
The InChIKey is QSYIMBKPQKSYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-3-12(14(17)18-4-2)19-13-6-5-11(15)9-10(13)7-8-16/h5-6,9,12H,3-4,7-8,16H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate?
ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate has a molecular weight of 269.32 g/mol, XLogP of 2.05, 7 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)-4-fluorophenoxy]butanoate is sourced from PubChem (CID 107700382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).