ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate

C14H19F2NO3 — CID 60786372

IUPACethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
SMILESCCNC(C)(C(=O)OCC)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO3/c1-4-17-14(3,12(18)19-5-2)10-6-8-11(9-7-10)20-13(15)16/h6-9,13,17H,4-5H2,1-3H3
InChIKeyXIZFRTOYJPKPHY-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.68
Rot. Bonds7

About ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate

ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate (PubChem CID 60786372) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
PubChem CID60786372
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
SMILESCCNC(C)(C(=O)OCC)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO3/c1-4-17-14(3,12(18)19-5-2)10-6-8-11(9-7-10)20-13(15)16/h6-9,13,17H,4-5H2,1-3H3
InChIKeyXIZFRTOYJPKPHY-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoic acid
CID 43753895
methyl 2-[4-(difluoromethoxy)phenyl]-2-(propylamino)propanoate
CID 60795366
ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
CID 60795500
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid
CID 62395470
ethyl 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(methylamino)butanoate
CID 60786071
2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 61001845
methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate
CID 62214131
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide
CID 97057512

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate?
The IUPAC name of ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate (CID 60786372) is ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate.
What is the SMILES notation for ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate?
The canonical SMILES for ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate is CCNC(C)(C(=O)OCC)c1ccc(OC(F)F)cc1.
What is the InChIKey of ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate?
The InChIKey is XIZFRTOYJPKPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-4-17-14(3,12(18)19-5-2)10-6-8-11(9-7-10)20-13(15)16/h6-9,13,17H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate?
ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate has a molecular weight of 287.31 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate is sourced from PubChem (CID 60786372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).