1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol

C16H24F2N2O3 — CID 111468348

IUPAC1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCC(O)(CNCc1ccc(OC(F)F)cc1)CN1CCOCC1
InChIInChI=1S/C16H24F2N2O3/c1-16(21,12-20-6-8-22-9-7-20)11-19-10-13-2-4-14(5-3-13)23-15(17)18/h2-5,15,19,21H,6-12H2,1H3
InChIKeyHQYVBCDYEPKHIL-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.46
Rot. Bonds8

About 1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol

1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol (PubChem CID 111468348) has the molecular formula C16H24F2N2O3 and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
PubChem CID111468348
Molecular FormulaC16H24F2N2O3
Molecular Weight330.37 g/mol
Exact Mass330.18
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCC(O)(CNCc1ccc(OC(F)F)cc1)CN1CCOCC1
InChIInChI=1S/C16H24F2N2O3/c1-16(21,12-20-6-8-22-9-7-20)11-19-10-13-2-4-14(5-3-13)23-15(17)18/h2-5,15,19,21H,6-12H2,1H3
InChIKeyHQYVBCDYEPKHIL-UHFFFAOYSA-N
XLogP1.46
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol (CID 111468348) is 1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol is CC(O)(CNCc1ccc(OC(F)F)cc1)CN1CCOCC1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The InChIKey is HQYVBCDYEPKHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3/c1-16(21,12-20-6-8-22-9-7-20)11-19-10-13-2-4-14(5-3-13)23-15(17)18/h2-5,15,19,21H,6-12H2,1H3.
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol has a molecular weight of 330.37 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111468348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).