2-ethyl-2-(3-methoxyanilino)pentanenitrile

C14H20N2O — CID 114079942

IUPAC2-ethyl-2-(3-methoxyanilino)pentanenitrile
SMILESCCCC(C#N)(CC)Nc1cccc(OC)c1
InChIInChI=1S/C14H20N2O/c1-4-9-14(5-2,11-15)16-12-7-6-8-13(10-12)17-3/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyWANWENDSDRSJSQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.58
Rot. Bonds6

About 2-ethyl-2-(3-methoxyanilino)pentanenitrile

2-ethyl-2-(3-methoxyanilino)pentanenitrile (PubChem CID 114079942) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-ethyl-2-(3-methoxyanilino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(3-methoxyanilino)pentanenitrile
PubChem CID114079942
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-ethyl-2-(3-methoxyanilino)pentanenitrile
SMILESCCCC(C#N)(CC)Nc1cccc(OC)c1
InChIInChI=1S/C14H20N2O/c1-4-9-14(5-2,11-15)16-12-7-6-8-13(10-12)17-3/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyWANWENDSDRSJSQ-UHFFFAOYSA-N
XLogP3.58
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile
CID 54886890
2-(3-methoxyanilino)-2,3-dimethylbutanenitrile
CID 60990481
2-ethyl-5-(3-methoxyphenoxy)-2-(propylamino)pentanenitrile
CID 106804523
2-ethyl-2-(3-methoxyanilino)hexanamide
CID 63953655
2-(3-methoxyanilino)-2-methylheptan-1-ol
CID 80558936
2-(4-chlorophenyl)-2-(3-methoxyanilino)propanenitrile
CID 46187811
2-[(3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 65378065
2-(4-methylanilino)-2-propylpentanenitrile
CID 54886231
3-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 61318903
ethane;N-ethyl-3-methoxyaniline
CID 142222302
2-(3-methoxyanilino)-2-methyloctanamide
CID 61005310
N-hexyl-3-methoxyaniline
CID 15500485

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methoxyanilino)pentanenitrile?
The IUPAC name of 2-ethyl-2-(3-methoxyanilino)pentanenitrile (CID 114079942) is 2-ethyl-2-(3-methoxyanilino)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(3-methoxyanilino)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(3-methoxyanilino)pentanenitrile is CCCC(C#N)(CC)Nc1cccc(OC)c1.
What is the InChIKey of 2-ethyl-2-(3-methoxyanilino)pentanenitrile?
The InChIKey is WANWENDSDRSJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-9-14(5-2,11-15)16-12-7-6-8-13(10-12)17-3/h6-8,10,16H,4-5,9H2,1-3H3.
What are the key properties of 2-ethyl-2-(3-methoxyanilino)pentanenitrile?
2-ethyl-2-(3-methoxyanilino)pentanenitrile has a molecular weight of 232.33 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methoxyanilino)pentanenitrile is sourced from PubChem (CID 114079942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).