(1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol

C19H22F2N2O2 — CID 95579560

IUPAC(1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol
SMILESO[C@@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H22F2N2O2/c20-15-3-6-17(18(21)11-15)19(24)13-22-12-14-1-4-16(5-2-14)23-7-9-25-10-8-23/h1-6,11,19,22,24H,7-10,12-13H2/t19-/m0/s1
InChIKeyUHYNEEFPYDLJMC-IBGZPJMESA-N
MW348.39 g/mol
LogP2.62
Rot. Bonds6

About (1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol

(1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol (PubChem CID 95579560) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is (1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol
PubChem CID95579560
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name(1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol
SMILESO[C@@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H22F2N2O2/c20-15-3-6-17(18(21)11-15)19(24)13-22-12-14-1-4-16(5-2-14)23-7-9-25-10-8-23/h1-6,11,19,22,24H,7-10,12-13H2/t19-/m0/s1
InChIKeyUHYNEEFPYDLJMC-IBGZPJMESA-N
XLogP2.62
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111422027
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol
CID 60970497
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
CID 106100636
4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133375
2-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanenitrile
CID 55101596
2-amino-1-(4-fluoro-2-morpholin-4-ylphenyl)ethanol
CID 117115347
2,4-difluoro-6-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86861797
(1R)-1-(2,4-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)ethanol
CID 95299073
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
4-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]phenol
CID 115572172

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol?
The IUPAC name of (1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol (CID 95579560) is (1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol.
What is the SMILES notation for (1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol?
The canonical SMILES for (1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol is O[C@@H](CNCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F.
What is the InChIKey of (1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol?
The InChIKey is UHYNEEFPYDLJMC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22F2N2O2/c20-15-3-6-17(18(21)11-15)19(24)13-22-12-14-1-4-16(5-2-14)23-7-9-25-10-8-23/h1-6,11,19,22,24H,7-10,12-13H2/t19-/m0/s1.
What are the key properties of (1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol?
(1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol has a molecular weight of 348.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol is sourced from PubChem (CID 95579560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).