4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile

C13H15ClN2O2 — CID 111105453

IUPAC4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile
SMILESN#CC1CN(CC(O)c2ccccc2Cl)CCO1
InChIInChI=1S/C13H15ClN2O2/c14-12-4-2-1-3-11(12)13(17)9-16-5-6-18-10(7-15)8-16/h1-4,10,13,17H,5-6,8-9H2
InChIKeyFHZICWBTUXONCV-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.60
Rot. Bonds3

About 4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile

4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile (PubChem CID 111105453) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile
PubChem CID111105453
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile
SMILESN#CC1CN(CC(O)c2ccccc2Cl)CCO1
InChIInChI=1S/C13H15ClN2O2/c14-12-4-2-1-3-11(12)13(17)9-16-5-6-18-10(7-15)8-16/h1-4,10,13,17H,5-6,8-9H2
InChIKeyFHZICWBTUXONCV-UHFFFAOYSA-N
XLogP1.60
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-6-chlorophenyl)methyl]morpholine-2-carbonitrile
CID 79665254
1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488895
(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
CID 100836996
4-(2,2-difluoroethyl)morpholine-2-carbonitrile
CID 78958703
1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol
CID 111512129
4-(2-phenylethyl)morpholine-2-carbonitrile
CID 79674801
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79674172
4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]morpholine-2-carbonitrile
CID 111105473
4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile
CID 111105465
(1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
CID 95322001
(2R)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 100866973

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile (CID 111105453) is 4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile is N#CC1CN(CC(O)c2ccccc2Cl)CCO1.
What is the InChIKey of 4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile?
The InChIKey is FHZICWBTUXONCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-12-4-2-1-3-11(12)13(17)9-16-5-6-18-10(7-15)8-16/h1-4,10,13,17H,5-6,8-9H2.
What are the key properties of 4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile?
4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile has a molecular weight of 266.73 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile is sourced from PubChem (CID 111105453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).