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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Related Compounds

3-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-1,1-dipropylurea
CID 66491139
1-benzyl-3-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]urea
CID 66491140
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 17234242
2-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-2-ethylbutanoic acid
CID 67900422
3-[4-(ethylaminomethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 106913259
[4-(1,3-dioxoisoindol-2-yl)phenyl]methylphosphonic acid
CID 19018245
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860
3-[4-(1,3-dioxoisoindol-2-yl)phenyl]propanoic acid
CID 17341627
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 44537911
butan-2-yl 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]acetate
CID 54518585

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).