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

C16H15N3 — CID 705527

IUPAC3-(4-ethylphenyl)iminoisoindol-1-amine
SMILESCCc1ccc(/N=C2\N=C(N)c3ccccc32)cc1
InChIInChI=1S/C16H15N3/c1-2-11-7-9-12(10-8-11)18-16-14-6-4-3-5-13(14)15(17)19-16/h3-10H,2H2,1H3,(H2,17,18,19)
InChIKeySLJCMMGFIBWMMQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.05
Rot. Bonds2

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

3-(4-ethylphenyl)iminoisoindol-1-amine (PubChem CID 705527) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-(4-ethylphenyl)iminoisoindol-1-amine.

Molecular Properties

Compound Name3-(4-ethylphenyl)iminoisoindol-1-amine
PubChem CID705527
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-(4-ethylphenyl)iminoisoindol-1-amine
SMILESCCc1ccc(/N=C2\N=C(N)c3ccccc32)cc1
InChIInChI=1S/C16H15N3/c1-2-11-7-9-12(10-8-11)18-16-14-6-4-3-5-13(14)15(17)19-16/h3-10H,2H2,1H3,(H2,17,18,19)
InChIKeySLJCMMGFIBWMMQ-UHFFFAOYSA-N
XLogP3.05
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-ethylphenyl)iminoisoindol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)iminoisoindol-1-amine?
The IUPAC name of 3-(4-ethylphenyl)iminoisoindol-1-amine (CID 705527) is 3-(4-ethylphenyl)iminoisoindol-1-amine.
What is the SMILES notation for 3-(4-ethylphenyl)iminoisoindol-1-amine?
The canonical SMILES for 3-(4-ethylphenyl)iminoisoindol-1-amine is CCc1ccc(/N=C2\N=C(N)c3ccccc32)cc1.
What is the InChIKey of 3-(4-ethylphenyl)iminoisoindol-1-amine?
The InChIKey is SLJCMMGFIBWMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-11-7-9-12(10-8-11)18-16-14-6-4-3-5-13(14)15(17)19-16/h3-10H,2H2,1H3,(H2,17,18,19).
What are the key properties of 3-(4-ethylphenyl)iminoisoindol-1-amine?
3-(4-ethylphenyl)iminoisoindol-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)iminoisoindol-1-amine is sourced from PubChem (CID 705527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).