4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile

C14H18N2O2 — CID 114775943

IUPAC4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile
SMILESCC1(C)CNCC(COc2ccc(C#N)cc2)O1
InChIInChI=1S/C14H18N2O2/c1-14(2)10-16-8-13(18-14)9-17-12-5-3-11(7-15)4-6-12/h3-6,13,16H,8-10H2,1-2H3
InChIKeyASWINDDXNIUKIZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.70
Rot. Bonds3

About 4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile

4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile (PubChem CID 114775943) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile
PubChem CID114775943
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile
SMILESCC1(C)CNCC(COc2ccc(C#N)cc2)O1
InChIInChI=1S/C14H18N2O2/c1-14(2)10-16-8-13(18-14)9-17-12-5-3-11(7-15)4-6-12/h3-6,13,16H,8-10H2,1-2H3
InChIKeyASWINDDXNIUKIZ-UHFFFAOYSA-N
XLogP1.70
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile
CID 114775825
2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine
CID 114775379
6-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carbonitrile
CID 103473350
2-[(6,6-dimethylmorpholin-2-yl)methoxy]propanenitrile
CID 114775428
4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxamide
CID 114775946
2,2-dimethyl-6-[(4-methylpyrimidin-2-yl)oxymethyl]morpholine
CID 114775795
methyl 4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxylate
CID 114775805
6-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775678
6-[(2-iodo-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
CID 114775752
2,2-dimethyl-6-[(1-methylimidazol-2-yl)oxymethyl]morpholine
CID 114775834
2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine
CID 114775829
6-[(5-bromopyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775968

Frequently Asked Questions

What is the IUPAC name of 4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile?
The IUPAC name of 4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile (CID 114775943) is 4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile?
The canonical SMILES for 4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile is CC1(C)CNCC(COc2ccc(C#N)cc2)O1.
What is the InChIKey of 4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile?
The InChIKey is ASWINDDXNIUKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2)10-16-8-13(18-14)9-17-12-5-3-11(7-15)4-6-12/h3-6,13,16H,8-10H2,1-2H3.
What are the key properties of 4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile?
4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile is sourced from PubChem (CID 114775943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).