4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine

C15H23N3O — CID 90705662

IUPAC4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine
SMILESCC1(C)CN(c2ccc(N3CCOCC3)cc2)CN1
InChIInChI=1S/C15H23N3O/c1-15(2)11-18(12-16-15)14-5-3-13(4-6-14)17-7-9-19-10-8-17/h3-6,16H,7-12H2,1-2H3
InChIKeyLEMUYMCOYVKIQX-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.67
Rot. Bonds2

About 4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine

4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine (PubChem CID 90705662) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine
PubChem CID90705662
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine
SMILESCC1(C)CN(c2ccc(N3CCOCC3)cc2)CN1
InChIInChI=1S/C15H23N3O/c1-15(2)11-18(12-16-15)14-5-3-13(4-6-14)17-7-9-19-10-8-17/h3-6,16H,7-12H2,1-2H3
InChIKeyLEMUYMCOYVKIQX-UHFFFAOYSA-N
XLogP1.67
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine (CID 90705662) is 4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine is CC1(C)CN(c2ccc(N3CCOCC3)cc2)CN1.
What is the InChIKey of 4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine?
The InChIKey is LEMUYMCOYVKIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)11-18(12-16-15)14-5-3-13(4-6-14)17-7-9-19-10-8-17/h3-6,16H,7-12H2,1-2H3.
What are the key properties of 4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine?
4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine has a molecular weight of 261.37 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine is sourced from PubChem (CID 90705662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).