2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile

C16H23NO — CID 54886210

IUPAC2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile
SMILESCCC(C#N)(CC)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H23NO/c1-5-16(6-2,12-17)14-7-9-15(10-8-14)18-11-13(3)4/h7-10,13H,5-6,11H2,1-4H3
InChIKeyXJEDZKLOXMCAHX-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.30
Rot. Bonds6

About 2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile

2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile (PubChem CID 54886210) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile
PubChem CID54886210
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile
SMILESCCC(C#N)(CC)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H23NO/c1-5-16(6-2,12-17)14-7-9-15(10-8-14)18-11-13(3)4/h7-10,13H,5-6,11H2,1-4H3
InChIKeyXJEDZKLOXMCAHX-UHFFFAOYSA-N
XLogP4.30
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile
CID 55026495
2-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 50988085
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
CID 54799086
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
2-ethyl-2-(4-nitrophenyl)butanenitrile
CID 67546505
3-[4-(2-methylpropoxy)phenyl]prop-2-enenitrile
CID 169484500
3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile
CID 103368324
6-(2-methylpropoxy)naphthalene-2-carbonitrile
CID 121256525
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium
CID 153398512
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile?
The IUPAC name of 2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile (CID 54886210) is 2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile.
What is the SMILES notation for 2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile?
The canonical SMILES for 2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile is CCC(C#N)(CC)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile?
The InChIKey is XJEDZKLOXMCAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-16(6-2,12-17)14-7-9-15(10-8-14)18-11-13(3)4/h7-10,13H,5-6,11H2,1-4H3.
What are the key properties of 2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile?
2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile has a molecular weight of 245.37 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[4-(2-methylpropoxy)phenyl]butanenitrile is sourced from PubChem (CID 54886210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).