4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine

C25H34FN3O — CID 91294277

IUPAC4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine
SMILESCC(C)CN1CCN(Cc2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2)C1
InChIInChI=1S/C25H34FN3O/c1-20(2)16-28-9-10-29(19-28)17-21-3-6-23(7-4-21)24-15-22(5-8-25(24)26)18-27-11-13-30-14-12-27/h3-8,15,20H,9-14,16-19H2,1-2H3
InChIKeyPHWMQBHEVWHWLY-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.06
Rot. Bonds7

About 4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine

4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine (PubChem CID 91294277) has the molecular formula C25H34FN3O and a molecular weight of 411.57 g/mol. Its IUPAC name is 4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine
PubChem CID91294277
Molecular FormulaC25H34FN3O
Molecular Weight411.57 g/mol
Exact Mass411.27
IUPAC Name4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine
SMILESCC(C)CN1CCN(Cc2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2)C1
InChIInChI=1S/C25H34FN3O/c1-20(2)16-28-9-10-29(19-28)17-21-3-6-23(7-4-21)24-15-22(5-8-25(24)26)18-27-11-13-30-14-12-27/h3-8,15,20H,9-14,16-19H2,1-2H3
InChIKeyPHWMQBHEVWHWLY-UHFFFAOYSA-N
XLogP4.06
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine (CID 91294277) is 4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine is CC(C)CN1CCN(Cc2ccc(-c3cc(CN4CCOCC4)ccc3F)cc2)C1.
What is the InChIKey of 4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine?
The InChIKey is PHWMQBHEVWHWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O/c1-20(2)16-28-9-10-29(19-28)17-21-3-6-23(7-4-21)24-15-22(5-8-25(24)26)18-27-11-13-30-14-12-27/h3-8,15,20H,9-14,16-19H2,1-2H3.
What are the key properties of 4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine?
4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine has a molecular weight of 411.57 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine is sourced from PubChem (CID 91294277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).