2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol

C10H14FNO — CID 84769029

IUPAC2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol
SMILESCNCc1cc(C)c(F)c(O)c1C
InChIInChI=1S/C10H14FNO/c1-6-4-8(5-12-3)7(2)10(13)9(6)11/h4,12-13H,5H2,1-3H3
InChIKeyNYICXAHEKKZRHF-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.87
Rot. Bonds2

About 2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol

2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol (PubChem CID 84769029) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol.

Molecular Properties

Compound Name2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol
PubChem CID84769029
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol
SMILESCNCc1cc(C)c(F)c(O)c1C
InChIInChI=1S/C10H14FNO/c1-6-4-8(5-12-3)7(2)10(13)9(6)11/h4,12-13H,5H2,1-3H3
InChIKeyNYICXAHEKKZRHF-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol?
The IUPAC name of 2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol (CID 84769029) is 2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol.
What is the SMILES notation for 2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol?
The canonical SMILES for 2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol is CNCc1cc(C)c(F)c(O)c1C.
What is the InChIKey of 2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol?
The InChIKey is NYICXAHEKKZRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6-4-8(5-12-3)7(2)10(13)9(6)11/h4,12-13H,5H2,1-3H3.
What are the key properties of 2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol?
2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol has a molecular weight of 183.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol is sourced from PubChem (CID 84769029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).