1,1-dimethyl-3-phenylisoindole

C16H15N — CID 20747762

IUPAC1,1-dimethyl-3-phenylisoindole
SMILESCC1(C)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N/c1-16(2)14-11-7-6-10-13(14)15(17-16)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyMAHJPPMMSSUJMD-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.77
Rot. Bonds1

About 1,1-dimethyl-3-phenylisoindole

1,1-dimethyl-3-phenylisoindole (PubChem CID 20747762) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 1,1-dimethyl-3-phenylisoindole.

Molecular Properties

Compound Name1,1-dimethyl-3-phenylisoindole
PubChem CID20747762
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name1,1-dimethyl-3-phenylisoindole
SMILESCC1(C)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N/c1-16(2)14-11-7-6-10-13(14)15(17-16)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyMAHJPPMMSSUJMD-UHFFFAOYSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-phenylisoindole?
The IUPAC name of 1,1-dimethyl-3-phenylisoindole (CID 20747762) is 1,1-dimethyl-3-phenylisoindole.
What is the SMILES notation for 1,1-dimethyl-3-phenylisoindole?
The canonical SMILES for 1,1-dimethyl-3-phenylisoindole is CC1(C)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1,1-dimethyl-3-phenylisoindole?
The InChIKey is MAHJPPMMSSUJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-16(2)14-11-7-6-10-13(14)15(17-16)12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of 1,1-dimethyl-3-phenylisoindole?
1,1-dimethyl-3-phenylisoindole has a molecular weight of 221.30 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-phenylisoindole is sourced from PubChem (CID 20747762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).