4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole

C17H19N — CID 10752373

IUPAC4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole
SMILESCc1ccc(N2Cc3ccc(C)c(C)c3C2)cc1
InChIInChI=1S/C17H19N/c1-12-4-8-16(9-5-12)18-10-15-7-6-13(2)14(3)17(15)11-18/h4-9H,10-11H2,1-3H3
InChIKeyKPWHILMHWUMMHR-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.13
Rot. Bonds1

About 4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole

4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole (PubChem CID 10752373) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole
PubChem CID10752373
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole
SMILESCc1ccc(N2Cc3ccc(C)c(C)c3C2)cc1
InChIInChI=1S/C17H19N/c1-12-4-8-16(9-5-12)18-10-15-7-6-13(2)14(3)17(15)11-18/h4-9H,10-11H2,1-3H3
InChIKeyKPWHILMHWUMMHR-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole?
The IUPAC name of 4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole (CID 10752373) is 4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole?
The canonical SMILES for 4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole is Cc1ccc(N2Cc3ccc(C)c(C)c3C2)cc1.
What is the InChIKey of 4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole?
The InChIKey is KPWHILMHWUMMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-12-4-8-16(9-5-12)18-10-15-7-6-13(2)14(3)17(15)11-18/h4-9H,10-11H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole?
4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole has a molecular weight of 237.35 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 10752373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).