3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol

C14H20FNO4 — CID 106100759

IUPAC3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
SMILESOC(CNCC1(O)CCOC1)COc1ccc(F)cc1
InChIInChI=1S/C14H20FNO4/c15-11-1-3-13(4-2-11)20-8-12(17)7-16-9-14(18)5-6-19-10-14/h1-4,12,16-18H,5-10H2
InChIKeyIMVPXVLXHFEOPE-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.31
Rot. Bonds7

About 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol

3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol (PubChem CID 106100759) has the molecular formula C14H20FNO4 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
PubChem CID106100759
Molecular FormulaC14H20FNO4
Molecular Weight285.31 g/mol
Exact Mass285.14
IUPAC Name3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
SMILESOC(CNCC1(O)CCOC1)COc1ccc(F)cc1
InChIInChI=1S/C14H20FNO4/c15-11-1-3-13(4-2-11)20-8-12(17)7-16-9-14(18)5-6-19-10-14/h1-4,12,16-18H,5-10H2
InChIKeyIMVPXVLXHFEOPE-UHFFFAOYSA-N
XLogP0.31
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100739
4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol
CID 81131042
3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol
CID 106100735
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
CID 114143445
3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100524
2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 129397646
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100527
3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100411
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
CID 65108883
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol (CID 106100759) is 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol is OC(CNCC1(O)CCOC1)COc1ccc(F)cc1.
What is the InChIKey of 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
The InChIKey is IMVPXVLXHFEOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4/c15-11-1-3-13(4-2-11)20-8-12(17)7-16-9-14(18)5-6-19-10-14/h1-4,12,16-18H,5-10H2.
What are the key properties of 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol?
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol has a molecular weight of 285.31 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).