2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile

C13H15ClN2O2 — CID 113456484

IUPAC2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile
SMILESCOc1cccc(Cl)c1C(C#N)N1CCOCC1
InChIInChI=1S/C13H15ClN2O2/c1-17-12-4-2-3-10(14)13(12)11(9-15)16-5-7-18-8-6-16/h2-4,11H,5-8H2,1H3
InChIKeyPFIRGKNVPYWCMO-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.25
Rot. Bonds3

About 2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile

2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile (PubChem CID 113456484) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile
PubChem CID113456484
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile
SMILESCOc1cccc(Cl)c1C(C#N)N1CCOCC1
InChIInChI=1S/C13H15ClN2O2/c1-17-12-4-2-3-10(14)13(12)11(9-15)16-5-7-18-8-6-16/h2-4,11H,5-8H2,1H3
InChIKeyPFIRGKNVPYWCMO-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetonitrile
CID 104816463
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile
CID 104819014
5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65340879
3-(2-methoxyphenyl)-2-morpholin-4-ylpropanenitrile
CID 82086119
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile
CID 104816442
2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104816461
2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile
CID 67533209
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]butanenitrile
CID 104819040
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572
2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile
CID 82086146

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile (CID 113456484) is 2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile is COc1cccc(Cl)c1C(C#N)N1CCOCC1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is PFIRGKNVPYWCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-17-12-4-2-3-10(14)13(12)11(9-15)16-5-7-18-8-6-16/h2-4,11H,5-8H2,1H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile?
2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile has a molecular weight of 266.73 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 113456484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).