4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol

C13H19F2NO2 — CID 64802212

IUPAC4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)Oc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO2/c1-9(7-13(2,8-17)16-3)18-12-5-4-10(14)6-11(12)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyKBBNELZJMGHCFT-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.09
Rot. Bonds6

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

4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64802212) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64802212
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)Oc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO2/c1-9(7-13(2,8-17)16-3)18-12-5-4-10(14)6-11(12)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyKBBNELZJMGHCFT-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol (CID 64802212) is 4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CC(C)Oc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is KBBNELZJMGHCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-9(7-13(2,8-17)16-3)18-12-5-4-10(14)6-11(12)15/h4-6,9,16-17H,7-8H2,1-3H3.
What are the key properties of 4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64802212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).