(2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile

C15H19ClN2O — CID 673390

IUPAC(2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile
SMILESCC[C@](Cl)(C#N)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H19ClN2O/c1-2-15(16,12-17)14(13-6-4-3-5-7-13)18-8-10-19-11-9-18/h3-7,14H,2,8-11H2,1H3/t14-,15+/m1/s1
InChIKeyJGSIPKUUXKQROQ-CABCVRRESA-N
MW278.78 g/mol
LogP2.97
Rot. Bonds4

About (2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile

(2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile (PubChem CID 673390) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is (2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile.

Molecular Properties

Compound Name(2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile
PubChem CID673390
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name(2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile
SMILESCC[C@](Cl)(C#N)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H19ClN2O/c1-2-15(16,12-17)14(13-6-4-3-5-7-13)18-8-10-19-11-9-18/h3-7,14H,2,8-11H2,1H3/t14-,15+/m1/s1
InChIKeyJGSIPKUUXKQROQ-CABCVRRESA-N
XLogP2.97
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-chloro-2-[(R)-morpholin-4-ium-4-yl(phenyl)methyl]butanenitrile
CID 7702142
4-(1-phenylbut-2-ynyl)morpholine
CID 3787055
N-ethyl-2-morpholin-4-yl-2-phenylethanamine;molecular hydrogen
CID 144767437
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-(10-morpholin-4-yl-1,10-diphenyldeca-2,8-diynyl)morpholine
CID 177392713
(2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile
CID 71421335
(3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane
CID 11325787
triethoxy-(2-morpholin-4-yl-2-phenylethyl)silane
CID 68744744
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile
CID 82081834
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
CID 135224933

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile?
The IUPAC name of (2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile (CID 673390) is (2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile.
What is the SMILES notation for (2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile?
The canonical SMILES for (2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile is CC[C@](Cl)(C#N)[C@@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of (2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile?
The InChIKey is JGSIPKUUXKQROQ-CABCVRRESA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-2-15(16,12-17)14(13-6-4-3-5-7-13)18-8-10-19-11-9-18/h3-7,14H,2,8-11H2,1H3/t14-,15+/m1/s1.
What are the key properties of (2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile?
(2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile has a molecular weight of 278.78 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-2-[(R)-morpholin-4-yl(phenyl)methyl]butanenitrile is sourced from PubChem (CID 673390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).