ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate

C13H17F2NO2 — CID 54960329

IUPACethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO2/c1-4-18-13(17)9(3)16-8(2)12-10(14)6-5-7-11(12)15/h5-9,16H,4H2,1-3H3
InChIKeyMQLCCRRWYFSOHL-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.57
Rot. Bonds5

About ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate

ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate (PubChem CID 54960329) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate
PubChem CID54960329
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Nameethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO2/c1-4-18-13(17)9(3)16-8(2)12-10(14)6-5-7-11(12)15/h5-9,16H,4H2,1-3H3
InChIKeyMQLCCRRWYFSOHL-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,6-difluorophenyl)ethylamino]-N,N-diethylpropanamide
CID 43739406
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81387523
ethyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81361138
ethyl 2-[(2,6-difluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 62398794
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
ethyl 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoate
CID 81370863
ethyl 2-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanoate
CID 61498388
ethyl 2-[1-(2,3,4-trichlorophenyl)ethylamino]propanoate
CID 61498523
ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate
CID 117362052
2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
CID 103389171
ethyl 3-amino-3-(2,6-difluorophenyl)propanoate
CID 43147915
2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253650

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate?
The IUPAC name of ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate (CID 54960329) is ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate?
The canonical SMILES for ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate is CCOC(=O)C(C)NC(C)c1c(F)cccc1F.
What is the InChIKey of ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate?
The InChIKey is MQLCCRRWYFSOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-4-18-13(17)9(3)16-8(2)12-10(14)6-5-7-11(12)15/h5-9,16H,4H2,1-3H3.
What are the key properties of ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate?
ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate has a molecular weight of 257.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate is sourced from PubChem (CID 54960329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).