2-(diethylamino)ethyl 4-aminobenzoate

C13H20N2O2 — CID 4914

💊View drug profile → procaine
IUPAC2-(diethylamino)ethyl 4-aminobenzoate
SMILESCCN(CC)CCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyMFDFERRIHVXMIY-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.77
Rot. Bonds6

About 2-(diethylamino)ethyl 4-aminobenzoate

2-(diethylamino)ethyl 4-aminobenzoate (PubChem CID 4914) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-aminobenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-aminobenzoate
PubChem CID4914
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name2-(diethylamino)ethyl 4-aminobenzoate
SMILESCCN(CC)CCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyMFDFERRIHVXMIY-UHFFFAOYSA-N
XLogP1.77
TPSA55.56 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzocaine
CID 2337
Padimate-O
CID 30541
Butyl 4-aminobenzoate
CID 2482
Benzonatate
CID 7699
Tetracaine
CID 5411
Chloroprocaine
CID 8612
Procaine Hydrochloride
CID 5795
Butacaine
CID 2480
Risocaine
CID 7174
Isobutamben
CID 7176
Tetracaine Hydrochloride
CID 8695
Methyl 4-aminobenzoate
CID 12082

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-aminobenzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-aminobenzoate (CID 4914) is 2-(diethylamino)ethyl 4-aminobenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-aminobenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-aminobenzoate is CCN(CC)CCOC(=O)c1ccc(N)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-aminobenzoate?
The InChIKey is MFDFERRIHVXMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 4-aminobenzoate?
2-(diethylamino)ethyl 4-aminobenzoate has a molecular weight of 236.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-aminobenzoate is sourced from PubChem (CID 4914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).