2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile

C14H18N2O — CID 107106497

IUPAC2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile
SMILESCCC1CN(c2c(C)cccc2C#N)CCO1
InChIInChI=1S/C14H18N2O/c1-3-13-10-16(7-8-17-13)14-11(2)5-4-6-12(14)9-15/h4-6,13H,3,7-8,10H2,1-2H3
InChIKeyJZGDQOOJYQXMQP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.48
Rot. Bonds2

About 2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile

2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile (PubChem CID 107106497) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile
PubChem CID107106497
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile
SMILESCCC1CN(c2c(C)cccc2C#N)CCO1
InChIInChI=1S/C14H18N2O/c1-3-13-10-16(7-8-17-13)14-11(2)5-4-6-12(14)9-15/h4-6,13H,3,7-8,10H2,1-2H3
InChIKeyJZGDQOOJYQXMQP-UHFFFAOYSA-N
XLogP2.48
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylmorpholin-4-yl)benzonitrile
CID 43429873
2-(3-ethyl-4-methylpiperazin-1-yl)-3-methylbenzonitrile
CID 107106901
4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile
CID 43669146
3-methyl-2-(3-phenylpyrrolidin-1-yl)benzonitrile
CID 107106787
3-(2-ethylmorpholin-4-yl)benzonitrile
CID 102815399
3-methyl-2-(3-methylpiperazin-1-yl)benzonitrile
CID 107111425
2-bromo-6-(2-ethylmorpholin-4-yl)benzonitrile
CID 114880634
methyl 2-[4-(2-chloro-6-cyanophenyl)morpholin-2-yl]acetate
CID 71862321
2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile
CID 154800229
2-(4-hydroxypiperidin-1-yl)-3-methylbenzonitrile
CID 107106376
2-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbenzonitrile
CID 107106438
2-[4-(cyanomethyl)piperazin-1-yl]-3-methylbenzonitrile
CID 107106228

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile?
The IUPAC name of 2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile (CID 107106497) is 2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile.
What is the SMILES notation for 2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile?
The canonical SMILES for 2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile is CCC1CN(c2c(C)cccc2C#N)CCO1.
What is the InChIKey of 2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile?
The InChIKey is JZGDQOOJYQXMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-13-10-16(7-8-17-13)14-11(2)5-4-6-12(14)9-15/h4-6,13H,3,7-8,10H2,1-2H3.
What are the key properties of 2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile?
2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.48, 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)-3-methylbenzonitrile is sourced from PubChem (CID 107106497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).