1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol

C16H25FN2O3 — CID 111423789

IUPAC1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(CC(O)CN1CCOCC1)CC(O)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O3/c1-18(10-15(20)11-19-6-8-22-9-7-19)12-16(21)13-2-4-14(17)5-3-13/h2-5,15-16,20-21H,6-12H2,1H3
InChIKeyZZZSXQOJXIDIHW-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.48
Rot. Bonds7

About 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol

1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111423789) has the molecular formula C16H25FN2O3 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111423789
Molecular FormulaC16H25FN2O3
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(CC(O)CN1CCOCC1)CC(O)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O3/c1-18(10-15(20)11-19-6-8-22-9-7-19)12-16(21)13-2-4-14(17)5-3-13/h2-5,15-16,20-21H,6-12H2,1H3
InChIKeyZZZSXQOJXIDIHW-UHFFFAOYSA-N
XLogP0.48
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-ol
CID 4132449
1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 100840896
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
(2S)-1-[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-methoxypropan-2-ol
CID 100857627
1-[methyl(3,3,3-trifluoropropyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110905333

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 111423789) is 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol is CN(CC(O)CN1CCOCC1)CC(O)c1ccc(F)cc1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is ZZZSXQOJXIDIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3/c1-18(10-15(20)11-19-6-8-22-9-7-19)12-16(21)13-2-4-14(17)5-3-13/h2-5,15-16,20-21H,6-12H2,1H3.
What are the key properties of 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol?
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 312.38 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111423789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).