4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol

C12H17F2NO2 — CID 64808680

IUPAC4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCOc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO2/c1-12(8-16,15-2)5-6-17-11-7-9(13)3-4-10(11)14/h3-4,7,15-16H,5-6,8H2,1-2H3
InChIKeyWRMLDBGZTGHODR-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.70
Rot. Bonds6

About 4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol

4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 64808680) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol
PubChem CID64808680
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCOc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO2/c1-12(8-16,15-2)5-6-17-11-7-9(13)3-4-10(11)14/h3-4,7,15-16H,5-6,8H2,1-2H3
InChIKeyWRMLDBGZTGHODR-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol (CID 64808680) is 4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol is CNC(C)(CO)CCOc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is WRMLDBGZTGHODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-12(8-16,15-2)5-6-17-11-7-9(13)3-4-10(11)14/h3-4,7,15-16H,5-6,8H2,1-2H3.
What are the key properties of 4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol?
4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64808680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).