2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile

C14H20N2O — CID 54886890

IUPAC2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile
SMILESCCC(C#N)(Nc1cccc(OC)c1)C(C)C
InChIInChI=1S/C14H20N2O/c1-5-14(10-15,11(2)3)16-12-7-6-8-13(9-12)17-4/h6-9,11,16H,5H2,1-4H3
InChIKeyMGMSIRWQSUTWQK-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.44
Rot. Bonds5

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

2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile (PubChem CID 54886890) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile
PubChem CID54886890
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile
SMILESCCC(C#N)(Nc1cccc(OC)c1)C(C)C
InChIInChI=1S/C14H20N2O/c1-5-14(10-15,11(2)3)16-12-7-6-8-13(9-12)17-4/h6-9,11,16H,5H2,1-4H3
InChIKeyMGMSIRWQSUTWQK-UHFFFAOYSA-N
XLogP3.44
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyanilino)-2,3-dimethylbutanenitrile
CID 60990481
2-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 114079942
2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867783
2-(3-methoxyanilino)-4-methylpentanenitrile
CID 60990472
2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine
CID 65377532
3-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 61318903
2-(4-chlorophenyl)-2-(3-methoxyanilino)propanenitrile
CID 46187811
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
2-(3-methoxyanilino)-2,3-dimethylbutanamide
CID 54892227
2-(5-bromo-2-fluorophenyl)-2-(3-methoxyanilino)propanenitrile
CID 82963424
2-(4-chlorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 61049075
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile?
The IUPAC name of 2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile (CID 54886890) is 2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile.
What is the SMILES notation for 2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile?
The canonical SMILES for 2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile is CCC(C#N)(Nc1cccc(OC)c1)C(C)C.
What is the InChIKey of 2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile?
The InChIKey is MGMSIRWQSUTWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-14(10-15,11(2)3)16-12-7-6-8-13(9-12)17-4/h6-9,11,16H,5H2,1-4H3.
What are the key properties of 2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile?
2-ethyl-2-(3-methoxyanilino)-3-methylbutanenitrile has a molecular weight of 232.33 g/mol, XLogP of 3.44, 5 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)-3-methylbutanenitrile is sourced from PubChem (CID 54886890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).