2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile

C22H33ClN2O — CID 19738042

IUPAC2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile
SMILESCCCCC(CCCC(C#N)c1ccc(Cl)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C22H33ClN2O/c1-4-5-8-22(25-15-17(2)26-18(3)16-25)9-6-7-20(14-24)19-10-12-21(23)13-11-19/h10-13,17-18,20,22H,4-9,15-16H2,1-3H3
InChIKeyBOPCKUOKAXXDFW-UHFFFAOYSA-N
MW376.97 g/mol
LogP5.79
Rot. Bonds9

About 2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile

2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile (PubChem CID 19738042) has the molecular formula C22H33ClN2O and a molecular weight of 376.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile
PubChem CID19738042
Molecular FormulaC22H33ClN2O
Molecular Weight376.97 g/mol
Exact Mass376.23
IUPAC Name2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile
SMILESCCCCC(CCCC(C#N)c1ccc(Cl)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C22H33ClN2O/c1-4-5-8-22(25-15-17(2)26-18(3)16-25)9-6-7-20(14-24)19-10-12-21(23)13-11-19/h10-13,17-18,20,22H,4-9,15-16H2,1-3H3
InChIKeyBOPCKUOKAXXDFW-UHFFFAOYSA-N
XLogP5.79
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.97
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)decanenitrile
CID 125465892
2-(4-tert-butylphenyl)hexanenitrile
CID 164597888
2-(2-chloro-4-pyridinyl)hexanenitrile
CID 175269832
2-(4-chlorophenyl)-4-(diethylamino)butanenitrile
CID 12550813
1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine
CID 174488177
2-(2,6-dimethylmorpholin-4-yl)propanedinitrile
CID 131018223
2-(4-chloro-2-fluorophenyl)hexanenitrile
CID 56604891
1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 104960789
methyl 4-(1-cyanopentyl)benzoate
CID 135008260
4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine
CID 2935352
2-(4-methylphenyl)pentanenitrile
CID 82074843
3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanenitrile
CID 62780582

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile?
The IUPAC name of 2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile (CID 19738042) is 2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile?
The canonical SMILES for 2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile is CCCCC(CCCC(C#N)c1ccc(Cl)cc1)N1CC(C)OC(C)C1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile?
The InChIKey is BOPCKUOKAXXDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN2O/c1-4-5-8-22(25-15-17(2)26-18(3)16-25)9-6-7-20(14-24)19-10-12-21(23)13-11-19/h10-13,17-18,20,22H,4-9,15-16H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile?
2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile has a molecular weight of 376.97 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile is sourced from PubChem (CID 19738042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).