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

C17H20N2O2 — CID 63425437

IUPACethyl 2-amino-5-(2-ethylanilino)benzoate
SMILESCCOC(=O)c1cc(Nc2ccccc2CC)ccc1N
InChIInChI=1S/C17H20N2O2/c1-3-12-7-5-6-8-16(12)19-13-9-10-15(18)14(11-13)17(20)21-4-2/h5-11,19H,3-4,18H2,1-2H3
InChIKeyAHQBJLPQGOHSQE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.75
Rot. Bonds5

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

ethyl 2-amino-5-(2-ethylanilino)benzoate (PubChem CID 63425437) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 2-amino-5-(2-ethylanilino)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2-ethylanilino)benzoate
PubChem CID63425437
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 2-amino-5-(2-ethylanilino)benzoate
SMILESCCOC(=O)c1cc(Nc2ccccc2CC)ccc1N
InChIInChI=1S/C17H20N2O2/c1-3-12-7-5-6-8-16(12)19-13-9-10-15(18)14(11-13)17(20)21-4-2/h5-11,19H,3-4,18H2,1-2H3
InChIKeyAHQBJLPQGOHSQE-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 2-amino-5-(3-bromo-2-methylanilino)benzoate
CID 107637696
ethyl 2-amino-5-(2,3-dichloroanilino)benzoate
CID 63425312
ethyl 2-amino-5-(2,4-dichloroanilino)benzoate
CID 63425547
ethyl 2-amino-5-(4-iodoanilino)benzoate
CID 63425715
2-amino-5-(2-ethoxyanilino)benzamide
CID 61305584
ethyl 2-amino-5-(4-chloro-3-fluoroanilino)benzoate
CID 63423525
methyl 2-amino-5-(2-methylsulfanylanilino)benzoate
CID 107645816
ethyl 2-amino-5-(2-methylpropylamino)benzoate
CID 61312656
[2-(2-ethylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149336
2-amino-5-(2,6-diethylanilino)benzoic acid
CID 60989372
ethyl 3-(2-aminoanilino)benzoate
CID 59419795
ethyl 2-amino-3-(4-bromo-3-fluoroanilino)benzoate
CID 115546383

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2-ethylanilino)benzoate?
The IUPAC name of ethyl 2-amino-5-(2-ethylanilino)benzoate (CID 63425437) is ethyl 2-amino-5-(2-ethylanilino)benzoate.
What is the SMILES notation for ethyl 2-amino-5-(2-ethylanilino)benzoate?
The canonical SMILES for ethyl 2-amino-5-(2-ethylanilino)benzoate is CCOC(=O)c1cc(Nc2ccccc2CC)ccc1N.
What is the InChIKey of ethyl 2-amino-5-(2-ethylanilino)benzoate?
The InChIKey is AHQBJLPQGOHSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-12-7-5-6-8-16(12)19-13-9-10-15(18)14(11-13)17(20)21-4-2/h5-11,19H,3-4,18H2,1-2H3.
What are the key properties of ethyl 2-amino-5-(2-ethylanilino)benzoate?
ethyl 2-amino-5-(2-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 2-amino-5-(2-ethylanilino)benzoate is sourced from PubChem (CID 63425437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).