2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile

C13H18N2O2 — CID 113233526

IUPAC2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
SMILESCN(CCCO)CCOc1ccccc1C#N
InChIInChI=1S/C13H18N2O2/c1-15(7-4-9-16)8-10-17-13-6-3-2-5-12(13)11-14/h2-3,5-6,16H,4,7-10H2,1H3
InChIKeyVTUJMVZFSNHYKU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.25
Rot. Bonds7

About 2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile

2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile (PubChem CID 113233526) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
PubChem CID113233526
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
SMILESCN(CCCO)CCOc1ccccc1C#N
InChIInChI=1S/C13H18N2O2/c1-15(7-4-9-16)8-10-17-13-6-3-2-5-12(13)11-14/h2-3,5-6,16H,4,7-10H2,1H3
InChIKeyVTUJMVZFSNHYKU-UHFFFAOYSA-N
XLogP1.25
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzonitrile
CID 63695573
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
CID 43289050
2-[3-[(2-hydroxy-2-methylpropyl)-methylamino]propoxy]benzonitrile
CID 79381147
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile
CID 43288846
2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile
CID 111544031
2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 43564981
2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide
CID 61221683
2-[3-[cyclopropyl(methyl)amino]propoxy]benzonitrile
CID 43288957
2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 110910679

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile (CID 113233526) is 2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile is CN(CCCO)CCOc1ccccc1C#N.
What is the InChIKey of 2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile?
The InChIKey is VTUJMVZFSNHYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(7-4-9-16)8-10-17-13-6-3-2-5-12(13)11-14/h2-3,5-6,16H,4,7-10H2,1H3.
What are the key properties of 2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile?
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 113233526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).