2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione

C17H16N2O2 — CID 106913246

IUPAC2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione
SMILESCCNCc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-2-18-11-12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)17(19)21/h3-10,18H,2,11H2,1H3
InChIKeyLHACXMONVNPJMY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.60
Rot. Bonds4

About 2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione

2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione (PubChem CID 106913246) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione
PubChem CID106913246
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione
SMILESCCNCc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-2-18-11-12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)17(19)21/h3-10,18H,2,11H2,1H3
InChIKeyLHACXMONVNPJMY-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione (CID 106913246) is 2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione is CCNCc1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione?
The InChIKey is LHACXMONVNPJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-18-11-12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)17(19)21/h3-10,18H,2,11H2,1H3.
What are the key properties of 2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione?
2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione has a molecular weight of 280.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 106913246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).