5,6-dimethyl-2-phenyl-1,3-dihydroisoindole

C16H17N — CID 2823735

IUPAC5,6-dimethyl-2-phenyl-1,3-dihydroisoindole
SMILESCc1cc2c(cc1C)CN(c1ccccc1)C2
InChIInChI=1S/C16H17N/c1-12-8-14-10-17(11-15(14)9-13(12)2)16-6-4-3-5-7-16/h3-9H,10-11H2,1-2H3
InChIKeyVMWDBIOAPUWRNL-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.82
Rot. Bonds1

About 5,6-dimethyl-2-phenyl-1,3-dihydroisoindole

5,6-dimethyl-2-phenyl-1,3-dihydroisoindole (PubChem CID 2823735) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 5,6-dimethyl-2-phenyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name5,6-dimethyl-2-phenyl-1,3-dihydroisoindole
PubChem CID2823735
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name5,6-dimethyl-2-phenyl-1,3-dihydroisoindole
SMILESCc1cc2c(cc1C)CN(c1ccccc1)C2
InChIInChI=1S/C16H17N/c1-12-8-14-10-17(11-15(14)9-13(12)2)16-6-4-3-5-7-16/h3-9H,10-11H2,1-2H3
InChIKeyVMWDBIOAPUWRNL-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 5,6-dimethyl-2-phenyl-1,3-dihydroisoindole?
The IUPAC name of 5,6-dimethyl-2-phenyl-1,3-dihydroisoindole (CID 2823735) is 5,6-dimethyl-2-phenyl-1,3-dihydroisoindole.
What is the SMILES notation for 5,6-dimethyl-2-phenyl-1,3-dihydroisoindole?
The canonical SMILES for 5,6-dimethyl-2-phenyl-1,3-dihydroisoindole is Cc1cc2c(cc1C)CN(c1ccccc1)C2.
What is the InChIKey of 5,6-dimethyl-2-phenyl-1,3-dihydroisoindole?
The InChIKey is VMWDBIOAPUWRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-8-14-10-17(11-15(14)9-13(12)2)16-6-4-3-5-7-16/h3-9H,10-11H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-phenyl-1,3-dihydroisoindole?
5,6-dimethyl-2-phenyl-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 5,6-dimethyl-2-phenyl-1,3-dihydroisoindole is sourced from PubChem (CID 2823735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).