1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine

C16H19BrN2O — CID 107725916

IUPAC1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(C)nc(Oc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C16H19BrN2O/c1-10-5-14(6-11(2)16(10)17)20-15-8-13(9-18-4)7-12(3)19-15/h5-8,18H,9H2,1-4H3
InChIKeyIRHZMRKWGDBJIV-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.28
Rot. Bonds4

About 1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine

1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine (PubChem CID 107725916) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
PubChem CID107725916
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(C)nc(Oc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C16H19BrN2O/c1-10-5-14(6-11(2)16(10)17)20-15-8-13(9-18-4)7-12(3)19-15/h5-8,18H,9H2,1-4H3
InChIKeyIRHZMRKWGDBJIV-UHFFFAOYSA-N
XLogP4.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine 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-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol
CID 107725591
1-[2-(4-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379513
[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 107727424
[2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine
CID 107725807
1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379549
6-(4-bromo-3,5-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 107727385
1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 116690035
1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62323652
N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470514
1-[2-(cyclohexylmethoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379534
1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 107726525
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine
CID 107727278

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine (CID 107725916) is 1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine is CNCc1cc(C)nc(Oc2cc(C)c(Br)c(C)c2)c1.
What is the InChIKey of 1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine?
The InChIKey is IRHZMRKWGDBJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10-5-14(6-11(2)16(10)17)20-15-8-13(9-18-4)7-12(3)19-15/h5-8,18H,9H2,1-4H3.
What are the key properties of 1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine?
1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine has a molecular weight of 335.25 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 107725916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).