2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile

C17H19N3O — CID 43288846

IUPAC2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile
SMILESCN(CCOc1ccccc1C#N)CCc1ccccn1
InChIInChI=1S/C17H19N3O/c1-20(11-9-16-7-4-5-10-19-16)12-13-21-17-8-3-2-6-15(17)14-18/h2-8,10H,9,11-13H2,1H3
InChIKeyBCSQEJGUTMUNBR-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.51
Rot. Bonds7

About 2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile

2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile (PubChem CID 43288846) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile
PubChem CID43288846
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile
SMILESCN(CCOc1ccccc1C#N)CCc1ccccn1
InChIInChI=1S/C17H19N3O/c1-20(11-9-16-7-4-5-10-19-16)12-13-21-17-8-3-2-6-15(17)14-18/h2-8,10H,9,11-13H2,1H3
InChIKeyBCSQEJGUTMUNBR-UHFFFAOYSA-N
XLogP2.51
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 43564981
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
CID 113233526
2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
CID 43289050
2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzonitrile
CID 63695573
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile
CID 81305629
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile
CID 61450560
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-pyridin-2-ylethyl)amino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile (CID 43288846) is 2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile is CN(CCOc1ccccc1C#N)CCc1ccccn1.
What is the InChIKey of 2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile?
The InChIKey is BCSQEJGUTMUNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20(11-9-16-7-4-5-10-19-16)12-13-21-17-8-3-2-6-15(17)14-18/h2-8,10H,9,11-13H2,1H3.
What are the key properties of 2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile?
2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 43288846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).