2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione

C17H16N2O2 — CID 43653732

IUPAC2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1ccccc1C(C)N)C2=O
InChIInChI=1S/C17H16N2O2/c1-10-7-8-13-14(9-10)17(21)19(16(13)20)15-6-4-3-5-12(15)11(2)18/h3-9,11H,18H2,1-2H3
InChIKeyPDMHGNAWHSPWRV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.82
Rot. Bonds2

About 2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione

2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione (PubChem CID 43653732) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione
PubChem CID43653732
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1ccccc1C(C)N)C2=O
InChIInChI=1S/C17H16N2O2/c1-10-7-8-13-14(9-10)17(21)19(16(13)20)15-6-4-3-5-12(15)11(2)18/h3-9,11H,18H2,1-2H3
InChIKeyPDMHGNAWHSPWRV-UHFFFAOYSA-N
XLogP2.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.82
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

5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 11778411
2-(5-methyl-1,3-dioxoisoindol-2-yl)benzenecarbothioamide
CID 43345994
2-[2-(1-aminoethyl)phenyl]-4H-isoquinoline-1,3-dione
CID 43653734
2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid
CID 151179339
2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione
CID 43345930
2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione
CID 168518946
2-(2,5-dibromophenyl)-5-methylisoindole-1,3-dione
CID 17132722
5-(4-methylphenyl)-2-[4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]-2,3-di(propan-2-yl)phenyl]isoindole-1,3-dione
CID 162769427
[3-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-triphenylphosphanium
CID 59031839
2-(2-fluoro-4-methylphenyl)isoquinoline-1,3,4-trione
CID 101438443
2-(2-ethoxy-4-methylphenyl)isoindole-1,3-dione
CID 58758682
2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione
CID 81274397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione (CID 43653732) is 2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(c1ccccc1C(C)N)C2=O.
What is the InChIKey of 2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione?
The InChIKey is PDMHGNAWHSPWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-7-8-13-14(9-10)17(21)19(16(13)20)15-6-4-3-5-12(15)11(2)18/h3-9,11H,18H2,1-2H3.
What are the key properties of 2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione?
2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione has a molecular weight of 280.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 43653732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).