2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile

C16H24N2O — CID 115129695

IUPAC2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile
SMILESCOc1cc(C)c(CCN(C)C(C)(C)C#N)cc1C
InChIInChI=1S/C16H24N2O/c1-12-10-15(19-6)13(2)9-14(12)7-8-18(5)16(3,4)11-17/h9-10H,7-8H2,1-6H3
InChIKeyIXBGWDDWJWXBAN-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.09
Rot. Bonds5

About 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile

2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile (PubChem CID 115129695) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile
PubChem CID115129695
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile
SMILESCOc1cc(C)c(CCN(C)C(C)(C)C#N)cc1C
InChIInChI=1S/C16H24N2O/c1-12-10-15(19-6)13(2)9-14(12)7-8-18(5)16(3,4)11-17/h9-10H,7-8H2,1-6H3
InChIKeyIXBGWDDWJWXBAN-UHFFFAOYSA-N
XLogP3.09
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129680
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129677
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde
CID 115223365
3-[2-(2-methoxy-4,5-dimethylphenyl)ethyl-methylamino]propanenitrile
CID 115231209
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260223
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl-methylamino]-2-methylpropanenitrile
CID 115129437
2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylcarbamothioic S-acid
CID 115170407
2-(4,5-dimethoxy-N,2-dimethylanilino)-2-methylpropanenitrile
CID 115129166
2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129671
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129698
2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile
CID 115131382
2-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]ethanethiol
CID 115224385

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile (CID 115129695) is 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile is COc1cc(C)c(CCN(C)C(C)(C)C#N)cc1C.
What is the InChIKey of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The InChIKey is IXBGWDDWJWXBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-10-15(19-6)13(2)9-14(12)7-8-18(5)16(3,4)11-17/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile?
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile has a molecular weight of 260.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 115129695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).