[2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine

C12H14FN3O — CID 54962241

IUPAC[2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
SMILESNCc1c(F)cccc1OCCn1cccn1
InChIInChI=1S/C12H14FN3O/c13-11-3-1-4-12(10(11)9-14)17-8-7-16-6-2-5-15-16/h1-6H,7-9,14H2
InChIKeyDKWYFCAUMNRLGS-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.56
Rot. Bonds5

About [2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine

[2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine (PubChem CID 54962241) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
PubChem CID54962241
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
SMILESNCc1c(F)cccc1OCCn1cccn1
InChIInChI=1S/C12H14FN3O/c13-11-3-1-4-12(10(11)9-14)17-8-7-16-6-2-5-15-16/h1-6H,7-9,14H2
InChIKeyDKWYFCAUMNRLGS-UHFFFAOYSA-N
XLogP1.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine 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 [2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
The IUPAC name of [2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine (CID 54962241) is [2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine is NCc1c(F)cccc1OCCn1cccn1.
What is the InChIKey of [2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
The InChIKey is DKWYFCAUMNRLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-11-3-1-4-12(10(11)9-14)17-8-7-16-6-2-5-15-16/h1-6H,7-9,14H2.
What are the key properties of [2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine?
[2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine has a molecular weight of 235.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 54962241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).