3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol

C13H18FNO3 — CID 114143445

IUPAC3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
SMILESOC(CNCC1(O)CCOC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3/c14-11-3-1-10(2-4-11)12(16)7-15-8-13(17)5-6-18-9-13/h1-4,12,15-17H,5-9H2
InChIKeyKFHPJGGLHLWVJI-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.60
Rot. Bonds5

About 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol

3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol (PubChem CID 114143445) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
PubChem CID114143445
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
SMILESOC(CNCC1(O)CCOC1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3/c14-11-3-1-10(2-4-11)12(16)7-15-8-13(17)5-6-18-9-13/h1-4,12,15-17H,5-9H2
InChIKeyKFHPJGGLHLWVJI-UHFFFAOYSA-N
XLogP0.60
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
CID 106100636
3-[[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 106100744
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100759
4-[[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]methyl]oxan-4-ol
CID 81133889
4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol
CID 81130882
1-(4-fluorophenyl)-2-[(1-methylcyclopentyl)methylamino]ethanol
CID 63821700
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 113337855
3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100524
1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760733
2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113337991
1-[[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cycloheptan-1-ol
CID 60763044

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol (CID 114143445) is 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol is OC(CNCC1(O)CCOC1)c1ccc(F)cc1.
What is the InChIKey of 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol?
The InChIKey is KFHPJGGLHLWVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c14-11-3-1-10(2-4-11)12(16)7-15-8-13(17)5-6-18-9-13/h1-4,12,15-17H,5-9H2.
What are the key properties of 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol?
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol has a molecular weight of 255.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 114143445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).