2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol

C15H23F2NO3 — CID 81401237

IUPAC2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(OC)ccc1OC(F)F
InChIInChI=1S/C15H23F2NO3/c1-4-15(5-2,10-19)9-18-12-8-11(20-3)6-7-13(12)21-14(16)17/h6-8,14,18-19H,4-5,9-10H2,1-3H3
InChIKeyYLPMYMZJPHLXFM-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.51
Rot. Bonds9

About 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol

2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol (PubChem CID 81401237) has the molecular formula C15H23F2NO3 and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol
PubChem CID81401237
Molecular FormulaC15H23F2NO3
Molecular Weight303.35 g/mol
Exact Mass303.16
IUPAC Name2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(OC)ccc1OC(F)F
InChIInChI=1S/C15H23F2NO3/c1-4-15(5-2,10-19)9-18-12-8-11(20-3)6-7-13(12)21-14(16)17/h6-8,14,18-19H,4-5,9-10H2,1-3H3
InChIKeyYLPMYMZJPHLXFM-UHFFFAOYSA-N
XLogP3.51
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol (CID 81401237) is 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1cc(OC)ccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol?
The InChIKey is YLPMYMZJPHLXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO3/c1-4-15(5-2,10-19)9-18-12-8-11(20-3)6-7-13(12)21-14(16)17/h6-8,14,18-19H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol?
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol has a molecular weight of 303.35 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81401237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).