4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol

C13H17F2NO3 — CID 79832590

IUPAC4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol
SMILESOc1c(F)cc(CNCC2(O)CCOCC2)cc1F
InChIInChI=1S/C13H17F2NO3/c14-10-5-9(6-11(15)12(10)17)7-16-8-13(18)1-3-19-4-2-13/h5-6,16-18H,1-4,7-8H2
InChIKeyYIQUTLDCZSMPMZ-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.30
Rot. Bonds4

About 4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol

4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol (PubChem CID 79832590) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol
PubChem CID79832590
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol
SMILESOc1c(F)cc(CNCC2(O)CCOCC2)cc1F
InChIInChI=1S/C13H17F2NO3/c14-10-5-9(6-11(15)12(10)17)7-16-8-13(18)1-3-19-4-2-13/h5-6,16-18H,1-4,7-8H2
InChIKeyYIQUTLDCZSMPMZ-UHFFFAOYSA-N
XLogP1.30
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115680075
1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 79831783
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
4-[[(3-fluoro-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 112607096
4-[[(3-fluoro-4-nitrophenyl)methylamino]methyl]oxan-4-ol
CID 81130281
4-[[(2,5-difluorophenyl)methylamino]methyl]oxan-4-ol
CID 78928993
4-[[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]oxan-4-ol
CID 78928490
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 114842509
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928832

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol (CID 79832590) is 4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol is Oc1c(F)cc(CNCC2(O)CCOCC2)cc1F.
What is the InChIKey of 4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol?
The InChIKey is YIQUTLDCZSMPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c14-10-5-9(6-11(15)12(10)17)7-16-8-13(18)1-3-19-4-2-13/h5-6,16-18H,1-4,7-8H2.
What are the key properties of 4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol?
4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol has a molecular weight of 273.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 79832590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).