4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile

C15H20N2O — CID 60690951

IUPAC4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile
SMILESCCC1COC(C)CN1Cc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O/c1-3-15-11-18-12(2)9-17(15)10-14-6-4-13(8-16)5-7-14/h4-7,12,15H,3,9-11H2,1-2H3
InChIKeyDJDVRKCNSRGODW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.56
Rot. Bonds3

About 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile

4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile (PubChem CID 60690951) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile
PubChem CID60690951
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile
SMILESCCC1COC(C)CN1Cc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O/c1-3-15-11-18-12(2)9-17(15)10-14-6-4-13(8-16)5-7-14/h4-7,12,15H,3,9-11H2,1-2H3
InChIKeyDJDVRKCNSRGODW-UHFFFAOYSA-N
XLogP2.56
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 43575811
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 112631185
4-[2-(5-ethyl-2-methylmorpholin-4-yl)ethoxy]benzonitrile
CID 60696551
2-[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]propan-1-amine
CID 105347526
2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline
CID 43575083
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 61423944
methyl 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzoate
CID 103749215
1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556582
1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine
CID 102770635
5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107879237
3-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)benzonitrile
CID 82797068
(4-benzyl-6-methylmorpholin-3-yl)methanol
CID 131123485

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile?
The IUPAC name of 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile (CID 60690951) is 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile is CCC1COC(C)CN1Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile?
The InChIKey is DJDVRKCNSRGODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-15-11-18-12(2)9-17(15)10-14-6-4-13(8-16)5-7-14/h4-7,12,15H,3,9-11H2,1-2H3.
What are the key properties of 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile?
4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzonitrile is sourced from PubChem (CID 60690951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).