5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione

C15H19BrN2O3 — CID 106674760

IUPAC5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione
SMILESCC(C)CNCC(O)CN1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C15H19BrN2O3/c1-9(2)6-17-7-11(19)8-18-14(20)12-4-3-10(16)5-13(12)15(18)21/h3-5,9,11,17,19H,6-8H2,1-2H3
InChIKeyMONALWQWGCCOAT-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.65
Rot. Bonds6

About 5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione

5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione (PubChem CID 106674760) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione
PubChem CID106674760
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione
SMILESCC(C)CNCC(O)CN1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C15H19BrN2O3/c1-9(2)6-17-7-11(19)8-18-14(20)12-4-3-10(16)5-13(12)15(18)21/h3-5,9,11,17,19H,6-8H2,1-2H3
InChIKeyMONALWQWGCCOAT-UHFFFAOYSA-N
XLogP1.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-chloro-2-hydroxypropyl)isoindole-1,3-dione
CID 106674733
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 27539267
5-bromo-2-[3-(tert-butylamino)-2-methylpropyl]isoindole-1,3-dione
CID 106674831
3-(5-bromo-1,3-dioxoisoindol-2-yl)-2-methylpropanethioamide
CID 55102527
1-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl]-3-(2-methylpropyl)urea
CID 108889727
1-(4-bromophenyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872403
2-[3-(4-bromoanilino)-2-hydroxypropyl]isoindole-1,3-dione
CID 15944902
2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 119188059
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide
CID 110839260
sodium 2-(5-bromo-1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 19205608
5-bromo-2-[2-(sulfanylmethyl)pentyl]isoindole-1,3-dione
CID 106674953

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione (CID 106674760) is 5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione is CC(C)CNCC(O)CN1C(=O)c2ccc(Br)cc2C1=O.
What is the InChIKey of 5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione?
The InChIKey is MONALWQWGCCOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-9(2)6-17-7-11(19)8-18-14(20)12-4-3-10(16)5-13(12)15(18)21/h3-5,9,11,17,19H,6-8H2,1-2H3.
What are the key properties of 5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione?
5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione has a molecular weight of 355.23 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione is sourced from PubChem (CID 106674760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).