ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate

C15H23FN2O2 — CID 63054507

IUPACethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate
SMILESCCNC(CCN(C)c1ccc(F)cc1)C(=O)OCC
InChIInChI=1S/C15H23FN2O2/c1-4-17-14(15(19)20-5-2)10-11-18(3)13-8-6-12(16)7-9-13/h6-9,14,17H,4-5,10-11H2,1-3H3
InChIKeyOKNULGZXYOIQRS-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.19
Rot. Bonds8

About ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate

ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate (PubChem CID 63054507) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate
PubChem CID63054507
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Nameethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate
SMILESCCNC(CCN(C)c1ccc(F)cc1)C(=O)OCC
InChIInChI=1S/C15H23FN2O2/c1-4-17-14(15(19)20-5-2)10-11-18(3)13-8-6-12(16)7-9-13/h6-9,14,17H,4-5,10-11H2,1-3H3
InChIKeyOKNULGZXYOIQRS-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
ethyl 2-(cyclopropylamino)-4-(N,4-dimethylanilino)butanoate
CID 63054168
ethyl 4-(2-fluoro-N-methylanilino)-2-(propylamino)butanoate
CID 63053989
ethyl 4-(2,5-difluorophenyl)sulfanyl-2-(ethylamino)butanoate
CID 63033799
ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate
CID 82322076
ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate
CID 55144515
4-fluoro-N-methyl-N-propylaniline
CID 23197529
ethyl (2S)-2-(ethylamino)-4-ethylsulfanylbutanoate
CID 151544436
ethyl 2-(ethylamino)-4-propylsulfanylbutanoate
CID 63035701
N-butyl-4-fluoro-N-methylaniline
CID 70573878
ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate
CID 104711228
4-(4-fluoro-N-methylanilino)-2-(4-methoxycarbonylphenyl)butanoic acid
CID 155929457

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate (CID 63054507) is ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate is CCNC(CCN(C)c1ccc(F)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate?
The InChIKey is OKNULGZXYOIQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-17-14(15(19)20-5-2)10-11-18(3)13-8-6-12(16)7-9-13/h6-9,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate?
ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate has a molecular weight of 282.36 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate is sourced from PubChem (CID 63054507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).