2-(3,5-dimethylphenyl)-1,3-dihydroisoindole

C16H17N — CID 613815

IUPAC2-(3,5-dimethylphenyl)-1,3-dihydroisoindole
SMILESCc1cc(C)cc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C16H17N/c1-12-7-13(2)9-16(8-12)17-10-14-5-3-4-6-15(14)11-17/h3-9H,10-11H2,1-2H3
InChIKeyXQMDUXLERZQIOA-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.82
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-1,3-dihydroisoindole

2-(3,5-dimethylphenyl)-1,3-dihydroisoindole (PubChem CID 613815) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1,3-dihydroisoindole
PubChem CID613815
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-(3,5-dimethylphenyl)-1,3-dihydroisoindole
SMILESCc1cc(C)cc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C16H17N/c1-12-7-13(2)9-16(8-12)17-10-14-5-3-4-6-15(14)11-17/h3-9H,10-11H2,1-2H3
InChIKeyXQMDUXLERZQIOA-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(3,5-dimethylphenyl)-1,3-dihydroisoindole (CID 613815) is 2-(3,5-dimethylphenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1,3-dihydroisoindole is Cc1cc(C)cc(N2Cc3ccccc3C2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1,3-dihydroisoindole?
The InChIKey is XQMDUXLERZQIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-7-13(2)9-16(8-12)17-10-14-5-3-4-6-15(14)11-17/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1,3-dihydroisoindole?
2-(3,5-dimethylphenyl)-1,3-dihydroisoindole has a molecular weight of 223.32 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 613815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).