2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile

C14H19NO — CID 55026470

IUPAC2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile
SMILESCCC(C#N)(CC)c1cc(C)ccc1OC
InChIInChI=1S/C14H19NO/c1-5-14(6-2,10-15)12-9-11(3)7-8-13(12)16-4/h7-9H,5-6H2,1-4H3
InChIKeyGKTCYYNDEYAQNW-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.59
Rot. Bonds4

About 2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile

2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile (PubChem CID 55026470) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile
PubChem CID55026470
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile
SMILESCCC(C#N)(CC)c1cc(C)ccc1OC
InChIInChI=1S/C14H19NO/c1-5-14(6-2,10-15)12-9-11(3)7-8-13(12)16-4/h7-9H,5-6H2,1-4H3
InChIKeyGKTCYYNDEYAQNW-UHFFFAOYSA-N
XLogP3.59
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2-methoxy-5-methylphenyl)propanenitrile
CID 16794194
N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine
CID 62594384
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 89214237
4-(2-methoxy-5-methylphenyl)heptan-4-amine
CID 54886794
2-(2-fluoro-5-methylphenyl)-2-methylbutanenitrile
CID 130133642
ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
CID 5022792
2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine
CID 79016908
2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile
CID 123371699
2-[difluoro(isocyanato)methyl]-1-methoxy-4-methylbenzene
CID 105466502
(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 71040209

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile?
The IUPAC name of 2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile (CID 55026470) is 2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile?
The canonical SMILES for 2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile is CCC(C#N)(CC)c1cc(C)ccc1OC.
What is the InChIKey of 2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile?
The InChIKey is GKTCYYNDEYAQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-14(6-2,10-15)12-9-11(3)7-8-13(12)16-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile?
2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile has a molecular weight of 217.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile is sourced from PubChem (CID 55026470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).