5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one

C17H19N3O — CID 167300153

IUPAC5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(Nc3cccc(N(C)C)c3)ccc2C1=O
InChIInChI=1S/C17H19N3O/c1-19(2)15-6-4-5-13(10-15)18-14-7-8-16-12(9-14)11-20(3)17(16)21/h4-10,18H,11H2,1-3H3
InChIKeyUNQLJRJSRMSECN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.08
Rot. Bonds3

About 5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one

5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one (PubChem CID 167300153) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one
PubChem CID167300153
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2cc(Nc3cccc(N(C)C)c3)ccc2C1=O
InChIInChI=1S/C17H19N3O/c1-19(2)15-6-4-5-13(10-15)18-14-7-8-16-12(9-14)11-20(3)17(16)21/h4-10,18H,11H2,1-3H3
InChIKeyUNQLJRJSRMSECN-UHFFFAOYSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(dimethylamino)phenyl]-2-methyl-3H-isoindol-1-one
CID 155495141
5-(3,5-dimethylanilino)-2-methyl-3H-isoindol-1-one
CID 167299989
5-(tert-butylamino)-2-methyl-3H-isoindol-1-one
CID 155362630
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
3-[3-(dimethylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556942
2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine
CID 113297468
2-(3-anilinophenyl)-5-[(2-methyl-4-pyridinyl)amino]-3H-isoindol-1-one
CID 170001971
4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 66739762
[3-(dimethylamino)phenyl]cyanamide
CID 115377794
2,5-dimethylisoindole-1,3-dione;2,5-dimethyl-3H-isoindol-1-one
CID 142859605

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one?
The IUPAC name of 5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one (CID 167300153) is 5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one is CN1Cc2cc(Nc3cccc(N(C)C)c3)ccc2C1=O.
What is the InChIKey of 5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one?
The InChIKey is UNQLJRJSRMSECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-19(2)15-6-4-5-13(10-15)18-14-7-8-16-12(9-14)11-20(3)17(16)21/h4-10,18H,11H2,1-3H3.
What are the key properties of 5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one?
5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one has a molecular weight of 281.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 167300153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).