2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine

C14H14BrFN2O — CID 80640534

IUPAC2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C14H14BrFN2O/c1-9-6-10(4-5-17)8-18-14(9)19-13-3-2-11(16)7-12(13)15/h2-3,6-8H,4-5,17H2,1H3
InChIKeyLJVWMEQFHUEZEU-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.59
Rot. Bonds4

About 2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine

2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine (PubChem CID 80640534) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
PubChem CID80640534
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C14H14BrFN2O/c1-9-6-10(4-5-17)8-18-14(9)19-13-3-2-11(16)7-12(13)15/h2-3,6-8H,4-5,17H2,1H3
InChIKeyLJVWMEQFHUEZEU-UHFFFAOYSA-N
XLogP3.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine 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

[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629216
2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 104708631
2-[6-(2,4-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640333
2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816477
2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639815
2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 107727015
2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639335
2-[4-(2-bromo-4-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 81166401
[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 83235140
1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639988
[6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633985
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine (CID 80640534) is 2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine is Cc1cc(CCN)cnc1Oc1ccc(F)cc1Br.
What is the InChIKey of 2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine?
The InChIKey is LJVWMEQFHUEZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-9-6-10(4-5-17)8-18-14(9)19-13-3-2-11(16)7-12(13)15/h2-3,6-8H,4-5,17H2,1H3.
What are the key properties of 2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine?
2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine has a molecular weight of 325.18 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 80640534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).