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

C16H17N3O — CID 43564981

IUPAC2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
SMILESCN(CCOc1ccccc1C#N)Cc1ccccn1
InChIInChI=1S/C16H17N3O/c1-19(13-15-7-4-5-9-18-15)10-11-20-16-8-3-2-6-14(16)12-17/h2-9H,10-11,13H2,1H3
InChIKeyMPFUUMVIGZSOLL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.46
Rot. Bonds6

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

2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile (PubChem CID 43564981) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
PubChem CID43564981
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
SMILESCN(CCOc1ccccc1C#N)Cc1ccccn1
InChIInChI=1S/C16H17N3O/c1-19(13-15-7-4-5-9-18-15)10-11-20-16-8-3-2-6-14(16)12-17/h2-9H,10-11,13H2,1H3
InChIKeyMPFUUMVIGZSOLL-UHFFFAOYSA-N
XLogP2.46
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile
CID 43288846
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62050829
2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
CID 43289050
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
CID 113233526
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile
CID 61450560
2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzonitrile
CID 63695573
2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
CID 61221871
2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide
CID 61221683
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile (CID 43564981) is 2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile is CN(CCOc1ccccc1C#N)Cc1ccccn1.
What is the InChIKey of 2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile?
The InChIKey is MPFUUMVIGZSOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(13-15-7-4-5-9-18-15)10-11-20-16-8-3-2-6-14(16)12-17/h2-9H,10-11,13H2,1H3.
What are the key properties of 2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile?
2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 43564981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).