ethyl 2-[1-(dimethylamino)ethyl]benzoate

C13H19NO2 — CID 67415343

IUPACethyl 2-[1-(dimethylamino)ethyl]benzoate
SMILESCCOC(=O)c1ccccc1C(C)N(C)C
InChIInChI=1S/C13H19NO2/c1-5-16-13(15)12-9-7-6-8-11(12)10(2)14(3)4/h6-10H,5H2,1-4H3
InChIKeyVJEKJOQJQCLTSU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.49
Rot. Bonds4

About ethyl 2-[1-(dimethylamino)ethyl]benzoate

ethyl 2-[1-(dimethylamino)ethyl]benzoate (PubChem CID 67415343) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 2-[1-(dimethylamino)ethyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[1-(dimethylamino)ethyl]benzoate
PubChem CID67415343
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 2-[1-(dimethylamino)ethyl]benzoate
SMILESCCOC(=O)c1ccccc1C(C)N(C)C
InChIInChI=1S/C13H19NO2/c1-5-16-13(15)12-9-7-6-8-11(12)10(2)14(3)4/h6-10H,5H2,1-4H3
InChIKeyVJEKJOQJQCLTSU-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[1-(dimethylamino)ethyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
ethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108501945
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401
ethyl 2-[1-(prop-2-ynylamino)ethyl]benzoate;hydrochloride
CID 172883149
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
ethyl 2,6-di(butan-2-yl)benzoate
CID 166060027
ethyl 2-[propan-2-yl(trifluoromethyl)amino]benzoate
CID 71635482

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(dimethylamino)ethyl]benzoate?
The IUPAC name of ethyl 2-[1-(dimethylamino)ethyl]benzoate (CID 67415343) is ethyl 2-[1-(dimethylamino)ethyl]benzoate.
What is the SMILES notation for ethyl 2-[1-(dimethylamino)ethyl]benzoate?
The canonical SMILES for ethyl 2-[1-(dimethylamino)ethyl]benzoate is CCOC(=O)c1ccccc1C(C)N(C)C.
What is the InChIKey of ethyl 2-[1-(dimethylamino)ethyl]benzoate?
The InChIKey is VJEKJOQJQCLTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-16-13(15)12-9-7-6-8-11(12)10(2)14(3)4/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 2-[1-(dimethylamino)ethyl]benzoate?
ethyl 2-[1-(dimethylamino)ethyl]benzoate has a molecular weight of 221.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(dimethylamino)ethyl]benzoate is sourced from PubChem (CID 67415343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).