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

C12H16N2O — CID 43288930

IUPAC2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
SMILESCCN(C)CCOc1ccccc1C#N
InChIInChI=1S/C12H16N2O/c1-3-14(2)8-9-15-12-7-5-4-6-11(12)10-13/h4-7H,3,8-9H2,1-2H3
InChIKeyPEVDDBSNHNDJPZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.89
Rot. Bonds5

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

2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile (PubChem CID 43288930) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
PubChem CID43288930
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
SMILESCCN(C)CCOc1ccccc1C#N
InChIInChI=1S/C12H16N2O/c1-3-14(2)8-9-15-12-7-5-4-6-11(12)10-13/h4-7H,3,8-9H2,1-2H3
InChIKeyPEVDDBSNHNDJPZ-UHFFFAOYSA-N
XLogP1.89
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
CID 43289050
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-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 43564981
2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide
CID 61221683
2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile
CID 43288846
2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
CID 61221871
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
CID 61222956
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[3-[cyclopropyl(methyl)amino]propoxy]benzonitrile
CID 43288957

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile (CID 43288930) is 2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile is CCN(C)CCOc1ccccc1C#N.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile?
The InChIKey is PEVDDBSNHNDJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-14(2)8-9-15-12-7-5-4-6-11(12)10-13/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile?
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile has a molecular weight of 204.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 43288930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).