3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol

C13H17F2NO3 — CID 103848379

IUPAC3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2ccccc2OC(F)F)CCOC1
InChIInChI=1S/C13H17F2NO3/c14-12(15)19-11-4-2-1-3-10(11)7-16-8-13(17)5-6-18-9-13/h1-4,12,16-17H,5-9H2
InChIKeyHJJLUVVAASOISO-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.53
Rot. Bonds6

About 3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol

3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol (PubChem CID 103848379) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
PubChem CID103848379
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2ccccc2OC(F)F)CCOC1
InChIInChI=1S/C13H17F2NO3/c14-12(15)19-11-4-2-1-3-10(11)7-16-8-13(17)5-6-18-9-13/h1-4,12,16-17H,5-9H2
InChIKeyHJJLUVVAASOISO-UHFFFAOYSA-N
XLogP1.53
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743674
4-[[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 78928486
3-[[(2-bromo-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 114143452
methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
CID 103923800
3-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848277
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 113337855
3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848244
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100524

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol (CID 103848379) is 3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol is OC1(CNCc2ccccc2OC(F)F)CCOC1.
What is the InChIKey of 3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol?
The InChIKey is HJJLUVVAASOISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c14-12(15)19-11-4-2-1-3-10(11)7-16-8-13(17)5-6-18-9-13/h1-4,12,16-17H,5-9H2.
What are the key properties of 3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol?
3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol has a molecular weight of 273.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103848379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).