ethyl 5-amino-2-(4-ethylanilino)benzoate

C17H20N2O2 — CID 63425348

IUPACethyl 5-amino-2-(4-ethylanilino)benzoate
SMILESCCOC(=O)c1cc(N)ccc1Nc1ccc(CC)cc1
InChIInChI=1S/C17H20N2O2/c1-3-12-5-8-14(9-6-12)19-16-10-7-13(18)11-15(16)17(20)21-4-2/h5-11,19H,3-4,18H2,1-2H3
InChIKeyZYCHIGMHJUJKBP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.75
Rot. Bonds5

About ethyl 5-amino-2-(4-ethylanilino)benzoate

ethyl 5-amino-2-(4-ethylanilino)benzoate (PubChem CID 63425348) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 5-amino-2-(4-ethylanilino)benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-(4-ethylanilino)benzoate
PubChem CID63425348
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 5-amino-2-(4-ethylanilino)benzoate
SMILESCCOC(=O)c1cc(N)ccc1Nc1ccc(CC)cc1
InChIInChI=1S/C17H20N2O2/c1-3-12-5-8-14(9-6-12)19-16-10-7-13(18)11-15(16)17(20)21-4-2/h5-11,19H,3-4,18H2,1-2H3
InChIKeyZYCHIGMHJUJKBP-UHFFFAOYSA-N
XLogP3.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.75
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

ethyl 5-amino-2-(4-chloroanilino)benzoate
CID 61306369
ethyl 5-amino-2-(3-ethylanilino)benzoate
CID 63425793
ethyl 5-amino-2-(3-bromo-4-methylanilino)benzoate
CID 63423036
ethyl 5-amino-2-(3-methylanilino)benzoate
CID 61307109
ethyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61305653
ethyl 5-amino-2-(2,4-dibromoanilino)benzoate
CID 63423028
ethyl 5-amino-2-(3-methoxyanilino)benzoate
CID 61306565
ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445
1-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165590
ethyl 5-amino-2-(2,5-dibromoanilino)benzoate
CID 63423432
ethyl 5-amino-2-(4-chloro-2-iodoanilino)benzoate
CID 107637817
ethyl 5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzoate
CID 107464500

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(4-ethylanilino)benzoate?
The IUPAC name of ethyl 5-amino-2-(4-ethylanilino)benzoate (CID 63425348) is ethyl 5-amino-2-(4-ethylanilino)benzoate.
What is the SMILES notation for ethyl 5-amino-2-(4-ethylanilino)benzoate?
The canonical SMILES for ethyl 5-amino-2-(4-ethylanilino)benzoate is CCOC(=O)c1cc(N)ccc1Nc1ccc(CC)cc1.
What is the InChIKey of ethyl 5-amino-2-(4-ethylanilino)benzoate?
The InChIKey is ZYCHIGMHJUJKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-12-5-8-14(9-6-12)19-16-10-7-13(18)11-15(16)17(20)21-4-2/h5-11,19H,3-4,18H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(4-ethylanilino)benzoate?
ethyl 5-amino-2-(4-ethylanilino)benzoate has a molecular weight of 284.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(4-ethylanilino)benzoate is sourced from PubChem (CID 63425348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).