ethyl 3-amino-4-(ethylamino)benzoate

C11H16N2O2 — CID 2305224

IUPACethyl 3-amino-4-(ethylamino)benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1N
InChIInChI=1S/C11H16N2O2/c1-3-13-10-6-5-8(7-9(10)12)11(14)15-4-2/h5-7,13H,3-4,12H2,1-2H3
InChIKeyMLUBDAIOTIOGDG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.88
Rot. Bonds4

About ethyl 3-amino-4-(ethylamino)benzoate

ethyl 3-amino-4-(ethylamino)benzoate (PubChem CID 2305224) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 3-amino-4-(ethylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-amino-4-(ethylamino)benzoate
PubChem CID2305224
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 3-amino-4-(ethylamino)benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1N
InChIInChI=1S/C11H16N2O2/c1-3-13-10-6-5-8(7-9(10)12)11(14)15-4-2/h5-7,13H,3-4,12H2,1-2H3
InChIKeyMLUBDAIOTIOGDG-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(ethylamino)benzoate?
The IUPAC name of ethyl 3-amino-4-(ethylamino)benzoate (CID 2305224) is ethyl 3-amino-4-(ethylamino)benzoate.
What is the SMILES notation for ethyl 3-amino-4-(ethylamino)benzoate?
The canonical SMILES for ethyl 3-amino-4-(ethylamino)benzoate is CCNc1ccc(C(=O)OCC)cc1N.
What is the InChIKey of ethyl 3-amino-4-(ethylamino)benzoate?
The InChIKey is MLUBDAIOTIOGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-13-10-6-5-8(7-9(10)12)11(14)15-4-2/h5-7,13H,3-4,12H2,1-2H3.
What are the key properties of ethyl 3-amino-4-(ethylamino)benzoate?
ethyl 3-amino-4-(ethylamino)benzoate has a molecular weight of 208.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(ethylamino)benzoate is sourced from PubChem (CID 2305224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).