2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile

C14H20N2O — CID 43289050

IUPAC2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
SMILESCC(C)CN(C)CCOc1ccccc1C#N
InChIInChI=1S/C14H20N2O/c1-12(2)11-16(3)8-9-17-14-7-5-4-6-13(14)10-15/h4-7,12H,8-9,11H2,1-3H3
InChIKeyKUCBWUQRRNCECS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.52
Rot. Bonds6

About 2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile

2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile (PubChem CID 43289050) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
PubChem CID43289050
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
SMILESCC(C)CN(C)CCOc1ccccc1C#N
InChIInChI=1S/C14H20N2O/c1-12(2)11-16(3)8-9-17-14-7-5-4-6-13(14)10-15/h4-7,12H,8-9,11H2,1-3H3
InChIKeyKUCBWUQRRNCECS-UHFFFAOYSA-N
XLogP2.52
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
CID 113233526
2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288965
2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzonitrile
CID 63695573
2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile
CID 43569118
2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 43564981
2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
CID 61222956
2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile
CID 43288846
2-[2-(4-methylpentoxy)ethoxy]benzonitrile
CID 43289722
2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
CID 61221871
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide
CID 61221683

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile (CID 43289050) is 2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile is CC(C)CN(C)CCOc1ccccc1C#N.
What is the InChIKey of 2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile?
The InChIKey is KUCBWUQRRNCECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(2)11-16(3)8-9-17-14-7-5-4-6-13(14)10-15/h4-7,12H,8-9,11H2,1-3H3.
What are the key properties of 2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile?
2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 43289050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).