2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile

C19H21N — CID 82141424

IUPAC2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile
SMILESCc1cc(C)c(CC(C)(C#N)c2ccccc2)c(C)c1
InChIInChI=1S/C19H21N/c1-14-10-15(2)18(16(3)11-14)12-19(4,13-20)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3
InChIKeyOAXQTQCYPGYIEN-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.64
Rot. Bonds3

About 2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile

2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile (PubChem CID 82141424) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile
PubChem CID82141424
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile
SMILESCc1cc(C)c(CC(C)(C#N)c2ccccc2)c(C)c1
InChIInChI=1S/C19H21N/c1-14-10-15(2)18(16(3)11-14)12-19(4,13-20)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3
InChIKeyOAXQTQCYPGYIEN-UHFFFAOYSA-N
XLogP4.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile?
The IUPAC name of 2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile (CID 82141424) is 2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile.
What is the SMILES notation for 2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile?
The canonical SMILES for 2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile is Cc1cc(C)c(CC(C)(C#N)c2ccccc2)c(C)c1.
What is the InChIKey of 2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile?
The InChIKey is OAXQTQCYPGYIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-14-10-15(2)18(16(3)11-14)12-19(4,13-20)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3.
What are the key properties of 2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile?
2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile has a molecular weight of 263.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile is sourced from PubChem (CID 82141424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).