[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine

C14H14BrFN2O — CID 61175759

IUPAC[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C14H14BrFN2O/c1-8-5-9(2)18-14(11(8)7-17)19-13-4-3-10(15)6-12(13)16/h3-6H,7,17H2,1-2H3
InChIKeyJIMODVSCTXCTRB-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.85
Rot. Bonds3

About [2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine

[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine (PubChem CID 61175759) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is [2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
PubChem CID61175759
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C14H14BrFN2O/c1-8-5-9(2)18-14(11(8)7-17)19-13-4-3-10(15)6-12(13)16/h3-6H,7,17H2,1-2H3
InChIKeyJIMODVSCTXCTRB-UHFFFAOYSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-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-(5-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 114671610
[2-(2-fluoro-5-methylphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 64853800
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
[2-(3,5-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 55111900
[3-(4-bromo-2-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508325
[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62322750
[2-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]oxy]phenyl]methanol
CID 63653421
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175556
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 61176130
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052848

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine (CID 61175759) is [2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine is Cc1cc(C)c(CN)c(Oc2ccc(Br)cc2F)n1.
What is the InChIKey of [2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine?
The InChIKey is JIMODVSCTXCTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-8-5-9(2)18-14(11(8)7-17)19-13-4-3-10(15)6-12(13)16/h3-6H,7,17H2,1-2H3.
What are the key properties of [2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine?
[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine has a molecular weight of 325.18 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine is sourced from PubChem (CID 61175759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).