2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole

C16H17N — CID 163561208

IUPAC2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole
SMILESCc1ccc(C2c3ccccc3CN2C)cc1
InChIInChI=1S/C16H17N/c1-12-7-9-13(10-8-12)16-15-6-4-3-5-14(15)11-17(16)2/h3-10,16H,11H2,1-2H3
InChIKeyFRJBGJSXBYWNFN-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.53
Rot. Bonds1

About 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole

2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole (PubChem CID 163561208) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole
PubChem CID163561208
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole
SMILESCc1ccc(C2c3ccccc3CN2C)cc1
InChIInChI=1S/C16H17N/c1-12-7-9-13(10-8-12)16-15-6-4-3-5-14(15)11-17(16)2/h3-10,16H,11H2,1-2H3
InChIKeyFRJBGJSXBYWNFN-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole 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 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole (CID 163561208) is 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole is Cc1ccc(C2c3ccccc3CN2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole?
The InChIKey is FRJBGJSXBYWNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-7-9-13(10-8-12)16-15-6-4-3-5-14(15)11-17(16)2/h3-10,16H,11H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole?
2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole has a molecular weight of 223.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 163561208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).