3-fluoro-2-methyl-5-(methylaminomethyl)phenol

C9H12FNO — CID 84765552

IUPAC3-fluoro-2-methyl-5-(methylaminomethyl)phenol
SMILESCNCc1cc(O)c(C)c(F)c1
InChIInChI=1S/C9H12FNO/c1-6-8(10)3-7(5-11-2)4-9(6)12/h3-4,11-12H,5H2,1-2H3
InChIKeyTWMGNXPOGUISGD-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.56
Rot. Bonds2

About 3-fluoro-2-methyl-5-(methylaminomethyl)phenol

3-fluoro-2-methyl-5-(methylaminomethyl)phenol (PubChem CID 84765552) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-(methylaminomethyl)phenol.

Molecular Properties

Compound Name3-fluoro-2-methyl-5-(methylaminomethyl)phenol
PubChem CID84765552
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name3-fluoro-2-methyl-5-(methylaminomethyl)phenol
SMILESCNCc1cc(O)c(C)c(F)c1
InChIInChI=1S/C9H12FNO/c1-6-8(10)3-7(5-11-2)4-9(6)12/h3-4,11-12H,5H2,1-2H3
InChIKeyTWMGNXPOGUISGD-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5-(methylaminomethyl)phenol?
The IUPAC name of 3-fluoro-2-methyl-5-(methylaminomethyl)phenol (CID 84765552) is 3-fluoro-2-methyl-5-(methylaminomethyl)phenol.
What is the SMILES notation for 3-fluoro-2-methyl-5-(methylaminomethyl)phenol?
The canonical SMILES for 3-fluoro-2-methyl-5-(methylaminomethyl)phenol is CNCc1cc(O)c(C)c(F)c1.
What is the InChIKey of 3-fluoro-2-methyl-5-(methylaminomethyl)phenol?
The InChIKey is TWMGNXPOGUISGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6-8(10)3-7(5-11-2)4-9(6)12/h3-4,11-12H,5H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-5-(methylaminomethyl)phenol?
3-fluoro-2-methyl-5-(methylaminomethyl)phenol has a molecular weight of 169.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-5-(methylaminomethyl)phenol is sourced from PubChem (CID 84765552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).