2-(4-tert-butylphenyl)-2-methylbutanenitrile

C15H21N — CID 117047788

IUPAC2-(4-tert-butylphenyl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21N/c1-6-15(5,11-16)13-9-7-12(8-10-13)14(2,3)4/h7-10H,6H2,1-5H3
InChIKeyONRLEWJJIBMUMZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.18
Rot. Bonds2

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

2-(4-tert-butylphenyl)-2-methylbutanenitrile (PubChem CID 117047788) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-methylbutanenitrile
PubChem CID117047788
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-(4-tert-butylphenyl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21N/c1-6-15(5,11-16)13-9-7-12(8-10-13)14(2,3)4/h7-10H,6H2,1-5H3
InChIKeyONRLEWJJIBMUMZ-UHFFFAOYSA-N
XLogP4.18
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(4-bromophenyl)-2-methylbutanenitrile
CID 129390929
ethane;2-(4-fluorophenyl)-2-methylbutanenitrile
CID 144811138
2-(3,4-dihydroxyphenyl)-2-methylbutanenitrile
CID 58364008
2-(3,5-dibromophenyl)-2-methylbutanenitrile
CID 130133609
2-(2-iodophenyl)-2-methylbutanenitrile
CID 117047768
2-(3-bromo-5-fluorophenyl)-2-methylbutanenitrile
CID 130133589
2-(4-tert-butylphenyl)-2,3-dimethylbutanenitrile
CID 117048002
2-(4-tert-butylphenyl)butan-2-amine
CID 62548189
3-(4-tert-butylphenyl)pentan-3-amine
CID 60986945
2-(2,4-difluorophenyl)-2-methylbutanenitrile
CID 117047762
2-methyl-2-phenyloctanenitrile
CID 161194132
4-hydroxy-2-methyl-2-(4-propan-2-ylphenyl)butanenitrile
CID 117050042

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-methylbutanenitrile?
The IUPAC name of 2-(4-tert-butylphenyl)-2-methylbutanenitrile (CID 117047788) is 2-(4-tert-butylphenyl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-methylbutanenitrile?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-methylbutanenitrile is CCC(C)(C#N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-methylbutanenitrile?
The InChIKey is ONRLEWJJIBMUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-6-15(5,11-16)13-9-7-12(8-10-13)14(2,3)4/h7-10H,6H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-methylbutanenitrile?
2-(4-tert-butylphenyl)-2-methylbutanenitrile has a molecular weight of 215.34 g/mol, XLogP of 4.18, 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-methylbutanenitrile is sourced from PubChem (CID 117047788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).