2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile

C15H21N — CID 55026495

IUPAC2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile
SMILESCCC(C#N)(CC)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21N/c1-5-15(6-2,11-16)14-9-7-13(8-10-14)12(3)4/h7-10,12H,5-6H2,1-4H3
InChIKeyGZMBPPSCCRXWII-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.39
Rot. Bonds4

About 2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile

2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile (PubChem CID 55026495) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile
PubChem CID55026495
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile
SMILESCCC(C#N)(CC)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21N/c1-5-15(6-2,11-16)14-9-7-13(8-10-14)12(3)4/h7-10,12H,5-6H2,1-4H3
InChIKeyGZMBPPSCCRXWII-UHFFFAOYSA-N
XLogP4.39
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile
CID 54886210
2-(4-propan-2-ylphenyl)butan-2-amine
CID 62800595
ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile
CID 143997025
1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene
CID 163649969
2-ethyl-2-(4-pyrrol-1-ylphenyl)butanenitrile
CID 154101832
4-hydroxy-2-methyl-2-(4-propan-2-ylphenyl)butanenitrile
CID 117050042
(3S)-2,2-diethyl-3-[4-(trifluoromethyl)phenyl]butanenitrile
CID 155351110
2-(4-butan-2-ylphenyl)-2,2-difluoroacetonitrile
CID 116840569
2-(4-bromo-3-methylphenyl)-2-ethylbutanenitrile
CID 118431422
N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine
CID 63511266
4-(4-aminophenyl)-4-cyanohexanoic acid
CID 22921469
N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine
CID 83108104

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile?
The IUPAC name of 2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile (CID 55026495) is 2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile?
The canonical SMILES for 2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile is CCC(C#N)(CC)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile?
The InChIKey is GZMBPPSCCRXWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-5-15(6-2,11-16)14-9-7-13(8-10-14)12(3)4/h7-10,12H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile?
2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile has a molecular weight of 215.34 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile is sourced from PubChem (CID 55026495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).