4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione

C11H11BrN2O2 — CID 117031725

IUPAC4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione
SMILESCNCCN1C(=O)c2cccc(Br)c2C1=O
InChIInChI=1S/C11H11BrN2O2/c1-13-5-6-14-10(15)7-3-2-4-8(12)9(7)11(14)16/h2-4,13H,5-6H2,1H3
InChIKeyMTMNJFDZJGUOIG-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.26
Rot. Bonds3

About 4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione

4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione (PubChem CID 117031725) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione
PubChem CID117031725
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione
SMILESCNCCN1C(=O)c2cccc(Br)c2C1=O
InChIInChI=1S/C11H11BrN2O2/c1-13-5-6-14-10(15)7-3-2-4-8(12)9(7)11(14)16/h2-4,13H,5-6H2,1H3
InChIKeyMTMNJFDZJGUOIG-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.26
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

2-(2-aminoethyl)-4-bromoisoindole-1,3-dione
CID 117031724
7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione
CID 61387766
2-(2-aminopropyl)-4-bromoisoindole-1,3-dione
CID 117031727
4-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 175366961
2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione
CID 39733476
7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione
CID 84626926
6-bromo-2-[2-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]ethyl]benzo[de]isoquinoline-1,3-dione
CID 59769116
5-[2-(methylamino)ethyl]benzo[b][1,4]benzoxazepin-6-one
CID 164683052
4-(methylamino)-2-pentylisoindole-1,3-dione
CID 117006093
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethylamino]ethyl]isoindole-1,3-dione
CID 3090844
5-bromo-2-[3-(methylamino)propyl]isoindole-1,3-dione
CID 61351323
2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide
CID 113082330

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione?
The IUPAC name of 4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione (CID 117031725) is 4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione?
The canonical SMILES for 4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione is CNCCN1C(=O)c2cccc(Br)c2C1=O.
What is the InChIKey of 4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione?
The InChIKey is MTMNJFDZJGUOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-13-5-6-14-10(15)7-3-2-4-8(12)9(7)11(14)16/h2-4,13H,5-6H2,1H3.
What are the key properties of 4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione?
4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione has a molecular weight of 283.12 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 117031725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).