2-(ethylamino)ethyl 4-(dimethylamino)benzoate

C13H20N2O2 — CID 71098016

IUPAC2-(ethylamino)ethyl 4-(dimethylamino)benzoate
SMILESCCNCCOC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-4-14-9-10-17-13(16)11-5-7-12(8-6-11)15(2)3/h5-8,14H,4,9-10H2,1-3H3
InChIKeyZDKGFVWDXHTFJI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.52
Rot. Bonds6

About 2-(ethylamino)ethyl 4-(dimethylamino)benzoate

2-(ethylamino)ethyl 4-(dimethylamino)benzoate (PubChem CID 71098016) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(ethylamino)ethyl 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name2-(ethylamino)ethyl 4-(dimethylamino)benzoate
PubChem CID71098016
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name2-(ethylamino)ethyl 4-(dimethylamino)benzoate
SMILESCCNCCOC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-4-14-9-10-17-13(16)11-5-7-12(8-6-11)15(2)3/h5-8,14H,4,9-10H2,1-3H3
InChIKeyZDKGFVWDXHTFJI-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
2-(ethylamino)ethyl 4-aminobenzoate
CID 45089797
CID 70858409
CID 70858409
2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate
CID 141413988
2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride
CID 157296462
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
CID 174814731
nitrous acid;octyl 4-(dimethylamino)benzoate
CID 174402955
2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate
CID 152620766
2-(2-methoxyethyldisulfanyl)ethyl 4-(dimethylamino)benzoate
CID 155017111
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228962
2-(3-iminobutanoyloxy)ethyl 4-(dimethylamino)benzoate
CID 54098147

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethyl 4-(dimethylamino)benzoate?
The IUPAC name of 2-(ethylamino)ethyl 4-(dimethylamino)benzoate (CID 71098016) is 2-(ethylamino)ethyl 4-(dimethylamino)benzoate.
What is the SMILES notation for 2-(ethylamino)ethyl 4-(dimethylamino)benzoate?
The canonical SMILES for 2-(ethylamino)ethyl 4-(dimethylamino)benzoate is CCNCCOC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-(ethylamino)ethyl 4-(dimethylamino)benzoate?
The InChIKey is ZDKGFVWDXHTFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-14-9-10-17-13(16)11-5-7-12(8-6-11)15(2)3/h5-8,14H,4,9-10H2,1-3H3.
What are the key properties of 2-(ethylamino)ethyl 4-(dimethylamino)benzoate?
2-(ethylamino)ethyl 4-(dimethylamino)benzoate has a molecular weight of 236.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethyl 4-(dimethylamino)benzoate is sourced from PubChem (CID 71098016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).