3-[2-(diethylamino)ethoxy]benzonitrile

C13H18N2O — CID 22683313

IUPAC3-[2-(diethylamino)ethoxy]benzonitrile
SMILESCCN(CC)CCOc1cccc(C#N)c1
InChIInChI=1S/C13H18N2O/c1-3-15(4-2)8-9-16-13-7-5-6-12(10-13)11-14/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyURIBBSUDFKHAHK-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.28
Rot. Bonds6

About 3-[2-(diethylamino)ethoxy]benzonitrile

3-[2-(diethylamino)ethoxy]benzonitrile (PubChem CID 22683313) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-(diethylamino)ethoxy]benzonitrile
PubChem CID22683313
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[2-(diethylamino)ethoxy]benzonitrile
SMILESCCN(CC)CCOc1cccc(C#N)c1
InChIInChI=1S/C13H18N2O/c1-3-15(4-2)8-9-16-13-7-5-6-12(10-13)11-14/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyURIBBSUDFKHAHK-UHFFFAOYSA-N
XLogP2.28
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[cyclobutylmethyl(ethyl)amino]ethoxy]benzonitrile
CID 107398684
3-[2-[methyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288705
3-[3-[cyclopropylmethyl(ethyl)amino]propoxy]benzonitrile
CID 63955781
3-[2-[ethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
CID 54949431
3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
CID 43288952
4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol
CID 54923470
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
3-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685151
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
3-(6-bromohexoxy)benzonitrile
CID 13450889
2-(3-tert-butylphenoxy)-N,N-diethylethanamine
CID 20619676
3-(3-ethylsulfonylpropoxy)benzonitrile
CID 64691604

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethoxy]benzonitrile?
The IUPAC name of 3-[2-(diethylamino)ethoxy]benzonitrile (CID 22683313) is 3-[2-(diethylamino)ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-(diethylamino)ethoxy]benzonitrile?
The canonical SMILES for 3-[2-(diethylamino)ethoxy]benzonitrile is CCN(CC)CCOc1cccc(C#N)c1.
What is the InChIKey of 3-[2-(diethylamino)ethoxy]benzonitrile?
The InChIKey is URIBBSUDFKHAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-15(4-2)8-9-16-13-7-5-6-12(10-13)11-14/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)ethoxy]benzonitrile?
3-[2-(diethylamino)ethoxy]benzonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethoxy]benzonitrile is sourced from PubChem (CID 22683313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).