ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate

C14H19F2NO3 — CID 81267797

IUPACethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(COc1c(F)cccc1F)NC(C)C
InChIInChI=1S/C14H19F2NO3/c1-4-19-14(18)12(17-9(2)3)8-20-13-10(15)6-5-7-11(13)16/h5-7,9,12,17H,4,8H2,1-3H3
InChIKeyQQJHWRLPVJTTLX-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.27
Rot. Bonds7

About ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate

ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate (PubChem CID 81267797) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate
PubChem CID81267797
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Nameethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(COc1c(F)cccc1F)NC(C)C
InChIInChI=1S/C14H19F2NO3/c1-4-19-14(18)12(17-9(2)3)8-20-13-10(15)6-5-7-11(13)16/h5-7,9,12,17H,4,8H2,1-3H3
InChIKeyQQJHWRLPVJTTLX-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate 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

ethyl 3-(3-ethoxyphenoxy)-2-(propan-2-ylamino)propanoate
CID 62335987
2-amino-3-(2,6-difluorophenoxy)propanoic acid
CID 81269565
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547
2-(3-amino-2-methyl-3-oxopropoxy)-3-fluorobenzoic acid
CID 112612114
ethyl 4-(3-fluoro-4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 107170470
ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate
CID 54960329
ethyl 2-(ethylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103290033
3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112615263
1-(2,6-difluorophenoxy)-N-propylbutan-2-amine
CID 81268673
ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 102722884
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001
ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate
CID 63039911

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate (CID 81267797) is ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate is CCOC(=O)C(COc1c(F)cccc1F)NC(C)C.
What is the InChIKey of ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate?
The InChIKey is QQJHWRLPVJTTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-4-19-14(18)12(17-9(2)3)8-20-13-10(15)6-5-7-11(13)16/h5-7,9,12,17H,4,8H2,1-3H3.
What are the key properties of ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate?
ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate has a molecular weight of 287.31 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 81267797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).