3-(4-methylphenyl)iminoisoindol-1-amine

C15H13N3 — CID 705532

IUPAC3-(4-methylphenyl)iminoisoindol-1-amine
SMILESCc1ccc(/N=C2\N=C(N)c3ccccc32)cc1
InChIInChI=1S/C15H13N3/c1-10-6-8-11(9-7-10)17-15-13-5-3-2-4-12(13)14(16)18-15/h2-9H,1H3,(H2,16,17,18)
InChIKeyCYUAYNFKQWLQDD-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.79
Rot. Bonds1

About 3-(4-methylphenyl)iminoisoindol-1-amine

3-(4-methylphenyl)iminoisoindol-1-amine (PubChem CID 705532) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(4-methylphenyl)iminoisoindol-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)iminoisoindol-1-amine
PubChem CID705532
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name3-(4-methylphenyl)iminoisoindol-1-amine
SMILESCc1ccc(/N=C2\N=C(N)c3ccccc32)cc1
InChIInChI=1S/C15H13N3/c1-10-6-8-11(9-7-10)17-15-13-5-3-2-4-12(13)14(16)18-15/h2-9H,1H3,(H2,16,17,18)
InChIKeyCYUAYNFKQWLQDD-UHFFFAOYSA-N
XLogP2.79
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.79
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-(4-methylphenyl)iminoisoindol-1-amine?
The IUPAC name of 3-(4-methylphenyl)iminoisoindol-1-amine (CID 705532) is 3-(4-methylphenyl)iminoisoindol-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)iminoisoindol-1-amine?
The canonical SMILES for 3-(4-methylphenyl)iminoisoindol-1-amine is Cc1ccc(/N=C2\N=C(N)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)iminoisoindol-1-amine?
The InChIKey is CYUAYNFKQWLQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-10-6-8-11(9-7-10)17-15-13-5-3-2-4-12(13)14(16)18-15/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 3-(4-methylphenyl)iminoisoindol-1-amine?
3-(4-methylphenyl)iminoisoindol-1-amine has a molecular weight of 235.29 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)iminoisoindol-1-amine is sourced from PubChem (CID 705532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).