[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine

C13H12ClFN2O — CID 105391433

IUPAC[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
SMILESCc1ccc(Oc2nccc(CN)c2F)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O/c1-8-2-3-11(10(14)6-8)18-13-12(15)9(7-16)4-5-17-13/h2-6H,7,16H2,1H3
InChIKeyFQNJDDHCICHALF-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.43
Rot. Bonds3

About [2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine

[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine (PubChem CID 105391433) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is [2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
PubChem CID105391433
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
SMILESCc1ccc(Oc2nccc(CN)c2F)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O/c1-8-2-3-11(10(14)6-8)18-13-12(15)9(7-16)4-5-17-13/h2-6H,7,16H2,1H3
InChIKeyFQNJDDHCICHALF-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
[2-(2-chloro-4-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874288
4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine
CID 105383793
[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854594
[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507987
[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine
CID 114264198
[3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105383255
2-(2-chloro-4-methylphenoxy)pyridin-4-amine
CID 62670410
[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391130
[2-(2-chlorophenoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383259
4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
CID 80880887
2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639335

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine?
The IUPAC name of [2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine (CID 105391433) is [2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine is Cc1ccc(Oc2nccc(CN)c2F)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine?
The InChIKey is FQNJDDHCICHALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8-2-3-11(10(14)6-8)18-13-12(15)9(7-16)4-5-17-13/h2-6H,7,16H2,1H3.
What are the key properties of [2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine?
[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine has a molecular weight of 266.70 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine is sourced from PubChem (CID 105391433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).