ethyl 5-amino-2-(ethylamino)benzoate

C11H16N2O2 — CID 61313445

IUPACethyl 5-amino-2-(ethylamino)benzoate
SMILESCCNc1ccc(N)cc1C(=O)OCC
InChIInChI=1S/C11H16N2O2/c1-3-13-10-6-5-8(12)7-9(10)11(14)15-4-2/h5-7,13H,3-4,12H2,1-2H3
InChIKeyXUKCNMOPIRXFLF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.88
Rot. Bonds4

About ethyl 5-amino-2-(ethylamino)benzoate

ethyl 5-amino-2-(ethylamino)benzoate (PubChem CID 61313445) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 5-amino-2-(ethylamino)benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-(ethylamino)benzoate
PubChem CID61313445
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 5-amino-2-(ethylamino)benzoate
SMILESCCNc1ccc(N)cc1C(=O)OCC
InChIInChI=1S/C11H16N2O2/c1-3-13-10-6-5-8(12)7-9(10)11(14)15-4-2/h5-7,13H,3-4,12H2,1-2H3
InChIKeyXUKCNMOPIRXFLF-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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Related Compounds

propyl 5-amino-2-(ethylamino)benzoate
CID 100637868
ethyl 5-amino-2-[[2-(ethylamino)-2-oxoethyl]amino]benzoate
CID 61307532
ethyl 5-amino-2-(butylamino)benzoate
CID 61306499
ethyl 5-amino-2-(2,2-difluoroethylamino)benzoate
CID 115408428
ethyl 5-amino-2-(2-methylsulfonylethylamino)benzoate
CID 61312260
ethyl 5-amino-2-[2-[ethyl(methyl)amino]ethylamino]benzoate
CID 62640727
ethyl 5-amino-2-(2-methylpentan-2-ylamino)benzoate
CID 113471979
5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917
ethyl 5-amino-2-[2-(trifluoromethylsulfanyl)ethylamino]benzoate
CID 106432642
ethyl 5-amino-2-(2-pyrrolidin-1-ylethylamino)benzoate
CID 62642562
ethyl 5-amino-2-(oxan-4-ylmethylamino)benzoate
CID 63705610
ethyl 5-amino-2-[(1-amino-1-oxopropan-2-yl)amino]benzoate
CID 61306773

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(ethylamino)benzoate?
The IUPAC name of ethyl 5-amino-2-(ethylamino)benzoate (CID 61313445) is ethyl 5-amino-2-(ethylamino)benzoate.
What is the SMILES notation for ethyl 5-amino-2-(ethylamino)benzoate?
The canonical SMILES for ethyl 5-amino-2-(ethylamino)benzoate is CCNc1ccc(N)cc1C(=O)OCC.
What is the InChIKey of ethyl 5-amino-2-(ethylamino)benzoate?
The InChIKey is XUKCNMOPIRXFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-13-10-6-5-8(12)7-9(10)11(14)15-4-2/h5-7,13H,3-4,12H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(ethylamino)benzoate?
ethyl 5-amino-2-(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 5-amino-2-(ethylamino)benzoate is sourced from PubChem (CID 61313445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).