methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate

C13H17F2NO3 — CID 65234653

IUPACmethyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate
SMILESCCNC(CC(=O)OC)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-3-16-11(8-12(17)18-2)9-4-6-10(7-5-9)19-13(14)15/h4-7,11,13,16H,3,8H2,1-2H3
InChIKeyGMZOPLOSXMSFAW-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.50
Rot. Bonds7

About methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate

methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate (PubChem CID 65234653) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate
PubChem CID65234653
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Namemethyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate
SMILESCCNC(CC(=O)OC)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-3-16-11(8-12(17)18-2)9-4-6-10(7-5-9)19-13(14)15/h4-7,11,13,16H,3,8H2,1-2H3
InChIKeyGMZOPLOSXMSFAW-UHFFFAOYSA-N
XLogP2.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
methyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate;hydrochloride
CID 174705729
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate
CID 55436102
methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate
CID 104823947
1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine
CID 105005864
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(ethylamino)propanoate
CID 65235132
ethyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate
CID 43147898
methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
CID 65234778
1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029421
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate?
The IUPAC name of methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate (CID 65234653) is methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate.
What is the SMILES notation for methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate?
The canonical SMILES for methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate is CCNC(CC(=O)OC)c1ccc(OC(F)F)cc1.
What is the InChIKey of methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate?
The InChIKey is GMZOPLOSXMSFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-3-16-11(8-12(17)18-2)9-4-6-10(7-5-9)19-13(14)15/h4-7,11,13,16H,3,8H2,1-2H3.
What are the key properties of methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate?
methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate has a molecular weight of 273.28 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate is sourced from PubChem (CID 65234653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).