2-(2-ethylmorpholin-4-yl)benzonitrile

C13H16N2O — CID 43429873

IUPAC2-(2-ethylmorpholin-4-yl)benzonitrile
SMILESCCC1CN(c2ccccc2C#N)CCO1
InChIInChI=1S/C13H16N2O/c1-2-12-10-15(7-8-16-12)13-6-4-3-5-11(13)9-14/h3-6,12H,2,7-8,10H2,1H3
InChIKeyMRNAACOAOLIDCU-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.17
Rot. Bonds2

About 2-(2-ethylmorpholin-4-yl)benzonitrile

2-(2-ethylmorpholin-4-yl)benzonitrile (PubChem CID 43429873) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2-ethylmorpholin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-ethylmorpholin-4-yl)benzonitrile
PubChem CID43429873
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(2-ethylmorpholin-4-yl)benzonitrile
SMILESCCC1CN(c2ccccc2C#N)CCO1
InChIInChI=1S/C13H16N2O/c1-2-12-10-15(7-8-16-12)13-6-4-3-5-11(13)9-14/h3-6,12H,2,7-8,10H2,1H3
InChIKeyMRNAACOAOLIDCU-UHFFFAOYSA-N
XLogP2.17
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile
CID 107106497
2-bromo-6-(2-ethylmorpholin-4-yl)benzonitrile
CID 114880634
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
4-bromo-2-(2-ethyl-1,4-oxazepan-4-yl)benzonitrile
CID 114218416
2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile
CID 113285117
3-(2-ethylmorpholin-4-yl)benzonitrile
CID 102815399
4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile
CID 43669146
3-[2-(hydroxymethyl)morpholin-4-yl]-2-nitrobenzonitrile
CID 104720129
2-morpholin-4-ylbenzonitrile
CID 2737012
4-(2-ethyl-1,4-oxazepan-4-yl)benzonitrile
CID 114217515
2-(4-ethyl-3-methylpiperazin-1-yl)benzonitrile
CID 55215261
2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid
CID 43562848

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylmorpholin-4-yl)benzonitrile?
The IUPAC name of 2-(2-ethylmorpholin-4-yl)benzonitrile (CID 43429873) is 2-(2-ethylmorpholin-4-yl)benzonitrile.
What is the SMILES notation for 2-(2-ethylmorpholin-4-yl)benzonitrile?
The canonical SMILES for 2-(2-ethylmorpholin-4-yl)benzonitrile is CCC1CN(c2ccccc2C#N)CCO1.
What is the InChIKey of 2-(2-ethylmorpholin-4-yl)benzonitrile?
The InChIKey is MRNAACOAOLIDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-12-10-15(7-8-16-12)13-6-4-3-5-11(13)9-14/h3-6,12H,2,7-8,10H2,1H3.
What are the key properties of 2-(2-ethylmorpholin-4-yl)benzonitrile?
2-(2-ethylmorpholin-4-yl)benzonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylmorpholin-4-yl)benzonitrile is sourced from PubChem (CID 43429873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).