methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate

C12H15F2NO2 — CID 65234652

IUPACmethyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate
SMILESCCNC(CC(=O)OC)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2/c1-3-15-11(7-12(16)17-2)9-5-4-8(13)6-10(9)14/h4-6,11,15H,3,7H2,1-2H3
InChIKeySOSPHCNBEMDODA-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.18
Rot. Bonds5

About methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate

methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate (PubChem CID 65234652) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate
PubChem CID65234652
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Namemethyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate
SMILESCCNC(CC(=O)OC)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2/c1-3-15-11(7-12(16)17-2)9-5-4-8(13)6-10(9)14/h4-6,11,15H,3,7H2,1-2H3
InChIKeySOSPHCNBEMDODA-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235593
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049
methyl 4-(2,4-difluorophenyl)-3,4-dihydroxybutanoate
CID 171895163
methyl 4-amino-3-(2,4-difluorophenyl)pentanoate
CID 66096858
methyl (3S)-3-(2,4-difluorophenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 99630876
methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate
CID 118284140
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79093891
1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 43491085
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
methyl (3S)-3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]-3-(2,4-difluorophenyl)propanoate
CID 99848117
1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087248

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate?
The IUPAC name of methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate (CID 65234652) is methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate.
What is the SMILES notation for methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate?
The canonical SMILES for methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate is CCNC(CC(=O)OC)c1ccc(F)cc1F.
What is the InChIKey of methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate?
The InChIKey is SOSPHCNBEMDODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-3-15-11(7-12(16)17-2)9-5-4-8(13)6-10(9)14/h4-6,11,15H,3,7H2,1-2H3.
What are the key properties of methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate?
methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate has a molecular weight of 243.25 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate is sourced from PubChem (CID 65234652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).