ethyl 2-(2,4,5-trimethylanilino)acetate

C13H19NO2 — CID 115257207

IUPACethyl 2-(2,4,5-trimethylanilino)acetate
SMILESCCOC(=O)CNc1cc(C)c(C)cc1C
InChIInChI=1S/C13H19NO2/c1-5-16-13(15)8-14-12-7-10(3)9(2)6-11(12)4/h6-7,14H,5,8H2,1-4H3
InChIKeyKHJPQOSKGAZILZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.59
Rot. Bonds4

About ethyl 2-(2,4,5-trimethylanilino)acetate

ethyl 2-(2,4,5-trimethylanilino)acetate (PubChem CID 115257207) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 2-(2,4,5-trimethylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4,5-trimethylanilino)acetate
PubChem CID115257207
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 2-(2,4,5-trimethylanilino)acetate
SMILESCCOC(=O)CNc1cc(C)c(C)cc1C
InChIInChI=1S/C13H19NO2/c1-5-16-13(15)8-14-12-7-10(3)9(2)6-11(12)4/h6-7,14H,5,8H2,1-4H3
InChIKeyKHJPQOSKGAZILZ-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067
ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate
CID 139502832
ethyl 2-(3,4-dimethylanilino)acetate;hydrochloride
CID 163328951
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
CID 115257255
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
ethyl 2-(2-ethylanilino)acetate
CID 28583397
ethyl 2-(2-chloro-5-methylanilino)acetate
CID 103768009
ethyl 2-(2,5-dibromoanilino)acetate
CID 61467112
ethyl 2-(3,5-dihydroxyanilino)acetate
CID 165356173
ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate
CID 10706801
ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate
CID 91559008

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4,5-trimethylanilino)acetate?
The IUPAC name of ethyl 2-(2,4,5-trimethylanilino)acetate (CID 115257207) is ethyl 2-(2,4,5-trimethylanilino)acetate.
What is the SMILES notation for ethyl 2-(2,4,5-trimethylanilino)acetate?
The canonical SMILES for ethyl 2-(2,4,5-trimethylanilino)acetate is CCOC(=O)CNc1cc(C)c(C)cc1C.
What is the InChIKey of ethyl 2-(2,4,5-trimethylanilino)acetate?
The InChIKey is KHJPQOSKGAZILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-16-13(15)8-14-12-7-10(3)9(2)6-11(12)4/h6-7,14H,5,8H2,1-4H3.
What are the key properties of ethyl 2-(2,4,5-trimethylanilino)acetate?
ethyl 2-(2,4,5-trimethylanilino)acetate has a molecular weight of 221.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4,5-trimethylanilino)acetate is sourced from PubChem (CID 115257207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).