2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate

C15H23NO3 — CID 2176414

IUPAC2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate
SMILESCCN(CC)CCOC(=O)COc1ccccc1C
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)10-11-18-15(17)12-19-14-9-7-6-8-13(14)3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyKXJQCDCNOAFDIA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.26
Rot. Bonds8

About 2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate

2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate (PubChem CID 2176414) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate
PubChem CID2176414
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate
SMILESCCN(CC)CCOC(=O)COc1ccccc1C
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)10-11-18-15(17)12-19-14-9-7-6-8-13(14)3/h6-9H,4-5,10-12H2,1-3H3
InChIKeyKXJQCDCNOAFDIA-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
2-(diethylamino)ethyl 4-[[2-(2-methylphenoxy)acetyl]amino]benzoate
CID 8961510
2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate
CID 76852280
1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate
CID 25239325
N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine
CID 31196232
N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine
CID 2058755
6-methylheptyl 2-(2-methylphenoxy)acetate
CID 169099759
propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9336248
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335908

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate?
The IUPAC name of 2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate (CID 2176414) is 2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate is CCN(CC)CCOC(=O)COc1ccccc1C.
What is the InChIKey of 2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate?
The InChIKey is KXJQCDCNOAFDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-16(5-2)10-11-18-15(17)12-19-14-9-7-6-8-13(14)3/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate?
2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate has a molecular weight of 265.35 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 2176414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).