5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione

C17H16N2O2 — CID 43197044

IUPAC5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione
SMILESCc1ccccc1C(C)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C17H16N2O2/c1-10-5-3-4-6-13(10)11(2)18-12-7-8-14-15(9-12)17(21)19-16(14)20/h3-9,11,18H,1-2H3,(H,19,20,21)
InChIKeyNYDUVQGOWTXPIM-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.05
Rot. Bonds3

About 5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione

5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione (PubChem CID 43197044) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione
PubChem CID43197044
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione
SMILESCc1ccccc1C(C)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C17H16N2O2/c1-10-5-3-4-6-13(10)11(2)18-12-7-8-14-15(9-12)17(21)19-16(14)20/h3-9,11,18H,1-2H3,(H,19,20,21)
InChIKeyNYDUVQGOWTXPIM-UHFFFAOYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
CID 43670137
3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
CID 43193860
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633
5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione
CID 43826105
5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione
CID 43826007
2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 43101041
5-[1-(3-bromothiophen-2-yl)ethylamino]isoindole-1,3-dione
CID 43766297
N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline
CID 43099518
N-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43193741
4-bromo-N-[1-(2-methylphenyl)ethyl]-3-nitroaniline
CID 79768073
[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 60980206
2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43347988

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione?
The IUPAC name of 5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione (CID 43197044) is 5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione.
What is the SMILES notation for 5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione?
The canonical SMILES for 5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione is Cc1ccccc1C(C)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione?
The InChIKey is NYDUVQGOWTXPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-5-3-4-6-13(10)11(2)18-12-7-8-14-15(9-12)17(21)19-16(14)20/h3-9,11,18H,1-2H3,(H,19,20,21).
What are the key properties of 5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione?
5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione has a molecular weight of 280.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 43197044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).