methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate

C15H19F2NO3 — CID 63920176

IUPACmethyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate
SMILESCCNC(COc1ccc(F)cc1F)(C(=O)OC)C1CC1
InChIInChI=1S/C15H19F2NO3/c1-3-18-15(10-4-5-10,14(19)20-2)9-21-13-7-6-11(16)8-12(13)17/h6-8,10,18H,3-5,9H2,1-2H3
InChIKeyVAZSBHXXLYPUKX-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.27
Rot. Bonds7

About methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate

methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate (PubChem CID 63920176) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate
PubChem CID63920176
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Namemethyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate
SMILESCCNC(COc1ccc(F)cc1F)(C(=O)OC)C1CC1
InChIInChI=1S/C15H19F2NO3/c1-3-18-15(10-4-5-10,14(19)20-2)9-21-13-7-6-11(16)8-12(13)17/h6-8,10,18H,3-5,9H2,1-2H3
InChIKeyVAZSBHXXLYPUKX-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(ethylamino)-3-(5-fluoro-2-methylphenoxy)propanoate
CID 102983960
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
methyl 2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(methylamino)propanoate
CID 63921165
methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate
CID 63919008
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propan-2-ylamino)propanoic acid
CID 102983623
5-(2,4-difluorophenoxy)-2-ethyl-2-(ethylamino)pentanoic acid
CID 106806922
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627540
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol
CID 102988099
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
methyl 3-(2-chloro-4-fluorophenoxy)-2,2-dimethylpropanoate
CID 79622181
2-cyclopropyl-2-(2,4-difluorophenoxy)propanoic acid
CID 114991492

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate (CID 63920176) is methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate is CCNC(COc1ccc(F)cc1F)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate?
The InChIKey is VAZSBHXXLYPUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-3-18-15(10-4-5-10,14(19)20-2)9-21-13-7-6-11(16)8-12(13)17/h6-8,10,18H,3-5,9H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate?
methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate has a molecular weight of 299.32 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 methyl 2-cyclopropyl-3-(2,4-difluorophenoxy)-2-(ethylamino)propanoate is sourced from PubChem (CID 63920176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).