[5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol

C13H18FNO2 — CID 163721723

IUPAC[5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol
SMILESOCC1CCC(NCc2ccc(F)cc2)CO1
InChIInChI=1S/C13H18FNO2/c14-11-3-1-10(2-4-11)7-15-12-5-6-13(8-16)17-9-12/h1-4,12-13,15-16H,5-9H2
InChIKeyKSDPBVCFDVNEHY-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.46
Rot. Bonds4

About [5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol

[5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol (PubChem CID 163721723) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol
PubChem CID163721723
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol
SMILESOCC1CCC(NCc2ccc(F)cc2)CO1
InChIInChI=1S/C13H18FNO2/c14-11-3-1-10(2-4-11)7-15-12-5-6-13(8-16)17-9-12/h1-4,12-13,15-16H,5-9H2
InChIKeyKSDPBVCFDVNEHY-UHFFFAOYSA-N
XLogP1.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,4R,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
CID 28961297
(2S,3S,4R,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-pyrrolidin-1-yloxolan-3-ol
CID 28961570
(2S,3S,4R,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]oxolan-3-ol
CID 28961840
(2S,3S,4S,5R)-4-[benzyl(methyl)amino]-5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)oxolan-3-ol
CID 38026759
(2R,3S,4S,5R)-2-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585224
(2R,3S,4S,5R)-2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585241
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(3-hydroxy-1-phenylpropyl)amino]methyl]oxolane-3,4-diol
CID 44585242
(2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585382
(2R,3S,4S,5R)-2-[[(2-fluorophenyl)methylamino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585384
(2R,3S,4S,5R)-2-[[(4-fluorophenyl)methylamino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585385
(2R,3S,4S,5R)-2-[[(3-fluorophenyl)methylamino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585398
(2S,3R,4R,5S,6R)-2-[(benzylamino)methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71770444

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol?
The IUPAC name of [5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol (CID 163721723) is [5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol.
What is the SMILES notation for [5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol?
The canonical SMILES for [5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol is OCC1CCC(NCc2ccc(F)cc2)CO1.
What is the InChIKey of [5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol?
The InChIKey is KSDPBVCFDVNEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-11-3-1-10(2-4-11)7-15-12-5-6-13(8-16)17-9-12/h1-4,12-13,15-16H,5-9H2.
What are the key properties of [5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol?
[5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol has a molecular weight of 239.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methylamino]oxan-2-yl]methanol is sourced from PubChem (CID 163721723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).