2-(4-tert-butylphenyl)-2-phenylacetonitrile

C18H19N — CID 11414012

IUPAC2-(4-tert-butylphenyl)-2-phenylacetonitrile
SMILESCC(C)(C)c1ccc(C(C#N)c2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-18(2,3)16-11-9-15(10-12-16)17(13-19)14-7-5-4-6-8-14/h4-12,17H,1-3H3
InChIKeyWNRYBJOWUHCXBB-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.64
Rot. Bonds2

About 2-(4-tert-butylphenyl)-2-phenylacetonitrile

2-(4-tert-butylphenyl)-2-phenylacetonitrile (PubChem CID 11414012) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-phenylacetonitrile
PubChem CID11414012
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-(4-tert-butylphenyl)-2-phenylacetonitrile
SMILESCC(C)(C)c1ccc(C(C#N)c2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-18(2,3)16-11-9-15(10-12-16)17(13-19)14-7-5-4-6-8-14/h4-12,17H,1-3H3
InChIKeyWNRYBJOWUHCXBB-UHFFFAOYSA-N
XLogP4.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-iodophenyl)-2-phenylacetonitrile
CID 71668972
(2S)-2-(4-iodophenyl)-2-phenylacetonitrile
CID 97184112
2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
CID 2764122
2-naphthalen-2-yl-2-phenylacetonitrile
CID 44719900
N-[4-[cyano(phenyl)methyl]phenyl]acetamide
CID 2832029
2-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834671
(2S)-2-(4-hexylphenyl)-2-phenylacetonitrile
CID 129387434
cumene;1,4-ditert-butylbenzene;2,2-dimethylpropanedinitrile;methane;2-phenylpropan-2-ylbenzene
CID 161156654
tert-butylbenzene;molecular nitrogen
CID 146464751
2-(4-tert-butylphenyl)-3-oxopropanenitrile
CID 13133051
N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide
CID 42959795
2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile
CID 117059598

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-phenylacetonitrile?
The IUPAC name of 2-(4-tert-butylphenyl)-2-phenylacetonitrile (CID 11414012) is 2-(4-tert-butylphenyl)-2-phenylacetonitrile.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-phenylacetonitrile?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-phenylacetonitrile is CC(C)(C)c1ccc(C(C#N)c2ccccc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-phenylacetonitrile?
The InChIKey is WNRYBJOWUHCXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-18(2,3)16-11-9-15(10-12-16)17(13-19)14-7-5-4-6-8-14/h4-12,17H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-phenylacetonitrile?
2-(4-tert-butylphenyl)-2-phenylacetonitrile has a molecular weight of 249.36 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-phenylacetonitrile is sourced from PubChem (CID 11414012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).