2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione

C16H15N3O2 — CID 54544953

IUPAC2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione
SMILESNc1ccccc1NCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H15N3O2/c17-13-7-3-4-8-14(13)18-9-10-19-15(20)11-5-1-2-6-12(11)16(19)21/h1-8,18H,9-10,17H2
InChIKeyZFWJAOZQJJANRX-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.98
Rot. Bonds4

About 2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione

2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione (PubChem CID 54544953) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione
PubChem CID54544953
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione
SMILESNc1ccccc1NCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H15N3O2/c17-13-7-3-4-8-14(13)18-9-10-19-15(20)11-5-1-2-6-12(11)16(19)21/h1-8,18H,9-10,17H2
InChIKeyZFWJAOZQJJANRX-UHFFFAOYSA-N
XLogP1.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione
CID 23827824
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethylamino]ethyl]isoindole-1,3-dione
CID 3090844
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione
CID 39733476
2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
CID 22184577
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998
2-[4-(aminomethylamino)butyl]isoindole-1,3-dione
CID 70994742
2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604
methyl 2-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoylamino]benzoate
CID 108874874
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione (CID 54544953) is 2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione is Nc1ccccc1NCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione?
The InChIKey is ZFWJAOZQJJANRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-13-7-3-4-8-14(13)18-9-10-19-15(20)11-5-1-2-6-12(11)16(19)21/h1-8,18H,9-10,17H2.
What are the key properties of 2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione?
2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 54544953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).