3-(2,4-dimethylphenyl)iminoisoindol-1-amine

C16H15N3 — CID 705582

IUPAC3-(2,4-dimethylphenyl)iminoisoindol-1-amine
SMILESCc1ccc(/N=C2\N=C(N)c3ccccc32)c(C)c1
InChIInChI=1S/C16H15N3/c1-10-7-8-14(11(2)9-10)18-16-13-6-4-3-5-12(13)15(17)19-16/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyAGYIICBPHFMLLK-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.10
Rot. Bonds1

About 3-(2,4-dimethylphenyl)iminoisoindol-1-amine

3-(2,4-dimethylphenyl)iminoisoindol-1-amine (PubChem CID 705582) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)iminoisoindol-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)iminoisoindol-1-amine
PubChem CID705582
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-(2,4-dimethylphenyl)iminoisoindol-1-amine
SMILESCc1ccc(/N=C2\N=C(N)c3ccccc32)c(C)c1
InChIInChI=1S/C16H15N3/c1-10-7-8-14(11(2)9-10)18-16-13-6-4-3-5-12(13)15(17)19-16/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyAGYIICBPHFMLLK-UHFFFAOYSA-N
XLogP3.10
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)iminoisoindol-1-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)iminoisoindol-1-amine (CID 705582) is 3-(2,4-dimethylphenyl)iminoisoindol-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)iminoisoindol-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)iminoisoindol-1-amine is Cc1ccc(/N=C2\N=C(N)c3ccccc32)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)iminoisoindol-1-amine?
The InChIKey is AGYIICBPHFMLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-10-7-8-14(11(2)9-10)18-16-13-6-4-3-5-12(13)15(17)19-16/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 3-(2,4-dimethylphenyl)iminoisoindol-1-amine?
3-(2,4-dimethylphenyl)iminoisoindol-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)iminoisoindol-1-amine is sourced from PubChem (CID 705582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).