2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol

C9H11F2NO2 — CID 84777069

IUPAC2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol
SMILESCNCc1cc(F)c(O)c(F)c1OC
InChIInChI=1S/C9H11F2NO2/c1-12-4-5-3-6(10)8(13)7(11)9(5)14-2/h3,12-13H,4H2,1-2H3
InChIKeyMYZHLNJDZQCBJD-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.40
Rot. Bonds3

About 2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol

2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol (PubChem CID 84777069) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol.

Molecular Properties

Compound Name2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol
PubChem CID84777069
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol
SMILESCNCc1cc(F)c(O)c(F)c1OC
InChIInChI=1S/C9H11F2NO2/c1-12-4-5-3-6(10)8(13)7(11)9(5)14-2/h3,12-13H,4H2,1-2H3
InChIKeyMYZHLNJDZQCBJD-UHFFFAOYSA-N
XLogP1.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol?
The IUPAC name of 2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol (CID 84777069) is 2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol.
What is the SMILES notation for 2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol?
The canonical SMILES for 2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol is CNCc1cc(F)c(O)c(F)c1OC.
What is the InChIKey of 2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol?
The InChIKey is MYZHLNJDZQCBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-12-4-5-3-6(10)8(13)7(11)9(5)14-2/h3,12-13H,4H2,1-2H3.
What are the key properties of 2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol?
2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol has a molecular weight of 203.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol is sourced from PubChem (CID 84777069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).