1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine

C16H19BrN2O — CID 83135139

IUPAC1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(C)nc1Oc1ccc(Br)c(C)c1
InChIInChI=1S/C16H19BrN2O/c1-10-7-12(3)19-16(14(10)9-18-4)20-13-5-6-15(17)11(2)8-13/h5-8,18H,9H2,1-4H3
InChIKeyIHVVXBFPCAZLTE-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.28
Rot. Bonds4

About 1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine

1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 83135139) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
PubChem CID83135139
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(C)nc1Oc1ccc(Br)c(C)c1
InChIInChI=1S/C16H19BrN2O/c1-10-7-12(3)19-16(14(10)9-18-4)20-13-5-6-15(17)11(2)8-13/h5-8,18H,9H2,1-4H3
InChIKeyIHVVXBFPCAZLTE-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-methylphenoxy)-4,6-dimethyl-3-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

1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62296968
1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 83234904
1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62321886
1-[2-(3-bromo-5-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 81326308
1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62335805
1-[2-(3,5-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62783602
1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 83134824
1-[2-[(4-methoxyphenyl)methoxy]-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62291859
2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide
CID 81332753
3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine
CID 55200335
N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296113
1-(4,6-dimethyl-2-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine (CID 83135139) is 1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine is CNCc1c(C)cc(C)nc1Oc1ccc(Br)c(C)c1.
What is the InChIKey of 1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is IHVVXBFPCAZLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10-7-12(3)19-16(14(10)9-18-4)20-13-5-6-15(17)11(2)8-13/h5-8,18H,9H2,1-4H3.
What are the key properties of 1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-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-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 83135139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).