2-(2,3-dimethylphenyl)-3H-isoindol-1-imine

C16H16N2 — CID 29045255

IUPAC2-(2,3-dimethylphenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1cccc(C)c1C
InChIInChI=1S/C16H16N2/c1-11-6-5-9-15(12(11)2)18-10-13-7-3-4-8-14(13)16(18)17/h3-9,17H,10H2,1-2H3/b17-16+
InChIKeyNJAOCKJGENXZFD-WUKNDPDISA-N
MW236.32 g/mol
LogP3.65
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-3H-isoindol-1-imine

2-(2,3-dimethylphenyl)-3H-isoindol-1-imine (PubChem CID 29045255) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-3H-isoindol-1-imine
PubChem CID29045255
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(2,3-dimethylphenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1cccc(C)c1C
InChIInChI=1S/C16H16N2/c1-11-6-5-9-15(12(11)2)18-10-13-7-3-4-8-14(13)16(18)17/h3-9,17H,10H2,1-2H3/b17-16+
InChIKeyNJAOCKJGENXZFD-WUKNDPDISA-N
XLogP3.65
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(2,3-dimethylphenyl)-3H-isoindol-1-imine?
The IUPAC name of 2-(2,3-dimethylphenyl)-3H-isoindol-1-imine (CID 29045255) is 2-(2,3-dimethylphenyl)-3H-isoindol-1-imine.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-3H-isoindol-1-imine?
The canonical SMILES for 2-(2,3-dimethylphenyl)-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1c1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-3H-isoindol-1-imine?
The InChIKey is NJAOCKJGENXZFD-WUKNDPDISA-N. The full InChI is InChI=1S/C16H16N2/c1-11-6-5-9-15(12(11)2)18-10-13-7-3-4-8-14(13)16(18)17/h3-9,17H,10H2,1-2H3/b17-16+.
What are the key properties of 2-(2,3-dimethylphenyl)-3H-isoindol-1-imine?
2-(2,3-dimethylphenyl)-3H-isoindol-1-imine has a molecular weight of 236.32 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-3H-isoindol-1-imine is sourced from PubChem (CID 29045255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).