2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile

C13H15ClN2O2 — CID 71996197

IUPAC2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile
SMILESCOCC1CN(c2ccc(C#N)c(Cl)c2)CCO1
InChIInChI=1S/C13H15ClN2O2/c1-17-9-12-8-16(4-5-18-12)11-3-2-10(7-15)13(14)6-11/h2-3,6,12H,4-5,8-9H2,1H3
InChIKeyISHQWFIGMXUASS-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.06
Rot. Bonds3

About 2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile

2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile (PubChem CID 71996197) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile
PubChem CID71996197
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile
SMILESCOCC1CN(c2ccc(C#N)c(Cl)c2)CCO1
InChIInChI=1S/C13H15ClN2O2/c1-17-9-12-8-16(4-5-18-12)11-3-2-10(7-15)13(14)6-11/h2-3,6,12H,4-5,8-9H2,1H3
InChIKeyISHQWFIGMXUASS-UHFFFAOYSA-N
XLogP2.06
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-4-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62945565
2-Chloro-6-morpholin-4-ylbenzonitrile
CID 2804371
3-Chloro-4-((morpholin-4-yl)methyl)aniline
CID 28721838
2-Chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]benzonitrile
CID 72003565
5-Chloro-2-[2-(methoxymethyl)morpholin-4-yl]benzonitrile
CID 72119939
Benzonitrile, 2-chloro-5-fluoro-4-morpholin-4-yl-
CID 729490
trans-1-[1-(3-Chloro-4-methylphenyl)piperidin-4-yl]-4-ethoxypyrrolidin-3-ol
CID 91768289
3-Fluoro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile
CID 72119937
2-chloro-6-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzonitrile
CID 124465258
4-chloro-2-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]benzonitrile
CID 164638827
3-Chloro-2-fluoro-5-morpholin-4-yl-benzonitrile
CID 68283965
2-Chloro-4-[5-(hydroxymethyl)-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]benzonitrile
CID 123435057

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile?
The IUPAC name of 2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile (CID 71996197) is 2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile.
What is the SMILES notation for 2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile?
The canonical SMILES for 2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile is COCC1CN(c2ccc(C#N)c(Cl)c2)CCO1.
What is the InChIKey of 2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile?
The InChIKey is ISHQWFIGMXUASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-17-9-12-8-16(4-5-18-12)11-3-2-10(7-15)13(14)6-11/h2-3,6,12H,4-5,8-9H2,1H3.
What are the key properties of 2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile?
2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile has a molecular weight of 266.73 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile is sourced from PubChem (CID 71996197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).