ethyl 2-(dimethylamino)benzoate

C11H15NO2 — CID 596366

IUPACethyl 2-(dimethylamino)benzoate
SMILESCCOC(=O)c1ccccc1N(C)C
InChIInChI=1S/C11H15NO2/c1-4-14-11(13)9-7-5-6-8-10(9)12(2)3/h5-8H,4H2,1-3H3
InChIKeyORBFAMHUKZLWSD-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.93
Rot. Bonds3

About ethyl 2-(dimethylamino)benzoate

ethyl 2-(dimethylamino)benzoate (PubChem CID 596366) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)benzoate
PubChem CID596366
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 2-(dimethylamino)benzoate
SMILESCCOC(=O)c1ccccc1N(C)C
InChIInChI=1S/C11H15NO2/c1-4-14-11(13)9-7-5-6-8-10(9)12(2)3/h5-8H,4H2,1-3H3
InChIKeyORBFAMHUKZLWSD-UHFFFAOYSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)benzoate?
The IUPAC name of ethyl 2-(dimethylamino)benzoate (CID 596366) is ethyl 2-(dimethylamino)benzoate.
What is the SMILES notation for ethyl 2-(dimethylamino)benzoate?
The canonical SMILES for ethyl 2-(dimethylamino)benzoate is CCOC(=O)c1ccccc1N(C)C.
What is the InChIKey of ethyl 2-(dimethylamino)benzoate?
The InChIKey is ORBFAMHUKZLWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-14-11(13)9-7-5-6-8-10(9)12(2)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-(dimethylamino)benzoate?
ethyl 2-(dimethylamino)benzoate has a molecular weight of 193.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)benzoate is sourced from PubChem (CID 596366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).