4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile

C17H25N3O3 — CID 100844104

IUPAC4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile
SMILESCCN1CCO[C@H](CNC[C@@H](O)COc2ccc(C#N)cc2)C1
InChIInChI=1S/C17H25N3O3/c1-2-20-7-8-22-17(12-20)11-19-10-15(21)13-23-16-5-3-14(9-18)4-6-16/h3-6,15,17,19,21H,2,7-8,10-13H2,1H3/t15-,17-/m1/s1
InChIKeyQLSIQJPOOKWLEB-NVXWUHKLSA-N
MW319.40 g/mol
LogP0.61
Rot. Bonds8

About 4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile

4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile (PubChem CID 100844104) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile.

Molecular Properties

Compound Name4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile
PubChem CID100844104
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile
SMILESCCN1CCO[C@H](CNC[C@@H](O)COc2ccc(C#N)cc2)C1
InChIInChI=1S/C17H25N3O3/c1-2-20-7-8-22-17(12-20)11-19-10-15(21)13-23-16-5-3-14(9-18)4-6-16/h3-6,15,17,19,21H,2,7-8,10-13H2,1H3/t15-,17-/m1/s1
InChIKeyQLSIQJPOOKWLEB-NVXWUHKLSA-N
XLogP0.61
TPSA77.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-ethylmorpholin-2-yl)methylamino]-3-methoxypropan-2-ol
CID 78960612
4-[(2S)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-hydroxypropoxy]benzonitrile
CID 95322904
4-[2-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]propoxy]benzonitrile
CID 60909247
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
3-ethyl-1-[(4-ethylmorpholin-2-yl)methylamino]pentan-2-ol
CID 106285209
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile
CID 95979245
1-[(4-ethylmorpholin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 115626302
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,5-difluorobenzonitrile
CID 107039033
4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile
CID 110885577
1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
CID 78960895
4-[2-hydroxy-3-(thiolan-3-ylmethylamino)propoxy]benzonitrile
CID 107295726

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile?
The IUPAC name of 4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile (CID 100844104) is 4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile.
What is the SMILES notation for 4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile?
The canonical SMILES for 4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile is CCN1CCO[C@H](CNC[C@@H](O)COc2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile?
The InChIKey is QLSIQJPOOKWLEB-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-20-7-8-22-17(12-20)11-19-10-15(21)13-23-16-5-3-14(9-18)4-6-16/h3-6,15,17,19,21H,2,7-8,10-13H2,1H3/t15-,17-/m1/s1.
What are the key properties of 4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile?
4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile has a molecular weight of 319.40 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile is sourced from PubChem (CID 100844104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).