2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate

C19H23NO2 — CID 26543

IUPAC2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate
SMILESCN(C)CCOC(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-20(2)14-15-22-19(21)18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKeyIMOOCNQCNCKRSY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.19
Rot. Bonds7

About 2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate

2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate (PubChem CID 26543) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate
PubChem CID26543
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate
SMILESCN(C)CCOC(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-20(2)14-15-22-19(21)18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKeyIMOOCNQCNCKRSY-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-phenylethyl)benzoate
CID 59701000
N-[2-(dimethylamino)ethyl]-2-(2-phenylethyl)benzamide
CID 71396924
2-(dimethylamino)ethyl 2-fluorobenzoate
CID 3546835
2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate
CID 2329503
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
CID 2118279
2-(dimethylamino)ethyl 2,3-bis(bromomethyl)benzoate
CID 54290065
2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate
CID 91693936
ethyl 2-ethyl-3-(2-phenylethyl)benzoate
CID 118039726
3-(dimethylamino)propyl 2-benzylsulfanylbenzoate;hydrochloride
CID 138397952
2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate
CID 657635

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate (CID 26543) is 2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate is CN(C)CCOC(=O)c1ccccc1CCc1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate?
The InChIKey is IMOOCNQCNCKRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-20(2)14-15-22-19(21)18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate?
2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate has a molecular weight of 297.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate is sourced from PubChem (CID 26543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).