2-(ethylamino)ethyl 4-aminobenzoate

C11H16N2O2 — CID 45089797

IUPAC2-(ethylamino)ethyl 4-aminobenzoate
SMILESCCNCCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-2-13-7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6,13H,2,7-8,12H2,1H3
InChIKeyDEXZCGMDMCOFSP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.04
Rot. Bonds5

About 2-(ethylamino)ethyl 4-aminobenzoate

2-(ethylamino)ethyl 4-aminobenzoate (PubChem CID 45089797) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(ethylamino)ethyl 4-aminobenzoate.

Molecular Properties

Compound Name2-(ethylamino)ethyl 4-aminobenzoate
PubChem CID45089797
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(ethylamino)ethyl 4-aminobenzoate
SMILESCCNCCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-2-13-7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6,13H,2,7-8,12H2,1H3
InChIKeyDEXZCGMDMCOFSP-UHFFFAOYSA-N
XLogP1.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)ethyl 4-(dimethylamino)benzoate
CID 71098016
2-(3-methoxypropylamino)ethyl 4-aminobenzoate;hydrochloride
CID 53423189
ethyl 4-aminobenzoate
CID 2337
azane;butyl 4-aminobenzoate
CID 175088613
tetradecyl 4-aminobenzoate
CID 66970570
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
2-(4-aminobenzoyl)oxyethyl-triethylazanium
CID 24837881
butane;ethyl 4-aminobenzoate
CID 67389405
2-(diethylamino)ethyl 4-aminobenzoate;hectahydrochloride
CID 173229201
3-hydroxypentyl 4-aminobenzoate
CID 142742949
2-(dimethylamino)ethyl 4-[2-(ethylamino)ethyl]benzoate;hydrochloride
CID 157296462

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethyl 4-aminobenzoate?
The IUPAC name of 2-(ethylamino)ethyl 4-aminobenzoate (CID 45089797) is 2-(ethylamino)ethyl 4-aminobenzoate.
What is the SMILES notation for 2-(ethylamino)ethyl 4-aminobenzoate?
The canonical SMILES for 2-(ethylamino)ethyl 4-aminobenzoate is CCNCCOC(=O)c1ccc(N)cc1.
What is the InChIKey of 2-(ethylamino)ethyl 4-aminobenzoate?
The InChIKey is DEXZCGMDMCOFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-13-7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6,13H,2,7-8,12H2,1H3.
What are the key properties of 2-(ethylamino)ethyl 4-aminobenzoate?
2-(ethylamino)ethyl 4-aminobenzoate has a molecular weight of 208.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethyl 4-aminobenzoate is sourced from PubChem (CID 45089797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).