ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate

C15H23NO2 — CID 65233713

IUPACethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
SMILESCCNC(CC(=O)OCC)c1cc(C)ccc1C
InChIInChI=1S/C15H23NO2/c1-5-16-14(10-15(17)18-6-2)13-9-11(3)7-8-12(13)4/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeySGZLRHMEUVGQQP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.91
Rot. Bonds6

About ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate

ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate (PubChem CID 65233713) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
PubChem CID65233713
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
SMILESCCNC(CC(=O)OCC)c1cc(C)ccc1C
InChIInChI=1S/C15H23NO2/c1-5-16-14(10-15(17)18-6-2)13-9-11(3)7-8-12(13)4/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeySGZLRHMEUVGQQP-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235879
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560875
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate
CID 118284140
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447347
1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
CID 102981309
ethyl 3-[(2-aminoacetyl)amino]-3-(2-hydroxy-5-methylphenyl)propanoate
CID 54698700
ethyl 2-(2,5-dimethylphenyl)-3-hydroxypropanoate
CID 45097761

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate?
The IUPAC name of ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate (CID 65233713) is ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate.
What is the SMILES notation for ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate?
The canonical SMILES for ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate is CCNC(CC(=O)OCC)c1cc(C)ccc1C.
What is the InChIKey of ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate?
The InChIKey is SGZLRHMEUVGQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-16-14(10-15(17)18-6-2)13-9-11(3)7-8-12(13)4/h7-9,14,16H,5-6,10H2,1-4H3.
What are the key properties of ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate?
ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate is sourced from PubChem (CID 65233713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).