2-(2-methoxyanilino)-2,3-dimethylpentanenitrile

C14H20N2O — CID 54887592

IUPAC2-(2-methoxyanilino)-2,3-dimethylpentanenitrile
SMILESCCC(C)C(C)(C#N)Nc1ccccc1OC
InChIInChI=1S/C14H20N2O/c1-5-11(2)14(3,10-15)16-12-8-6-7-9-13(12)17-4/h6-9,11,16H,5H2,1-4H3
InChIKeyKCSZYDDGCBOBKP-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.44
Rot. Bonds5

About 2-(2-methoxyanilino)-2,3-dimethylpentanenitrile

2-(2-methoxyanilino)-2,3-dimethylpentanenitrile (PubChem CID 54887592) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-2,3-dimethylpentanenitrile.

Molecular Properties

Compound Name2-(2-methoxyanilino)-2,3-dimethylpentanenitrile
PubChem CID54887592
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(2-methoxyanilino)-2,3-dimethylpentanenitrile
SMILESCCC(C)C(C)(C#N)Nc1ccccc1OC
InChIInChI=1S/C14H20N2O/c1-5-11(2)14(3,10-15)16-12-8-6-7-9-13(12)17-4/h6-9,11,16H,5H2,1-4H3
InChIKeyKCSZYDDGCBOBKP-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-dimethyl-2-(2-methylanilino)pentanenitrile
CID 60990449
4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile
CID 66179632
2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol
CID 62488457
2-(benzylamino)-2,3-dimethylpentanenitrile
CID 61006364
3-(4-fluorophenyl)-2-(2-methoxyanilino)-2-methylpropanenitrile
CID 114831840
2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 60778681
2-(2-bromoanilino)-3,3-dimethoxy-2-methylpropanenitrile
CID 66167820
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate
CID 60993162
2-(2-methoxyanilino)-2,4-dimethylpentanamide
CID 54892038
2-(2-methoxyanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048291

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-2,3-dimethylpentanenitrile?
The IUPAC name of 2-(2-methoxyanilino)-2,3-dimethylpentanenitrile (CID 54887592) is 2-(2-methoxyanilino)-2,3-dimethylpentanenitrile.
What is the SMILES notation for 2-(2-methoxyanilino)-2,3-dimethylpentanenitrile?
The canonical SMILES for 2-(2-methoxyanilino)-2,3-dimethylpentanenitrile is CCC(C)C(C)(C#N)Nc1ccccc1OC.
What is the InChIKey of 2-(2-methoxyanilino)-2,3-dimethylpentanenitrile?
The InChIKey is KCSZYDDGCBOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-11(2)14(3,10-15)16-12-8-6-7-9-13(12)17-4/h6-9,11,16H,5H2,1-4H3.
What are the key properties of 2-(2-methoxyanilino)-2,3-dimethylpentanenitrile?
2-(2-methoxyanilino)-2,3-dimethylpentanenitrile 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-(2-methoxyanilino)-2,3-dimethylpentanenitrile is sourced from PubChem (CID 54887592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).