(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium

C15H19N2O2+ — CID 5045085

IUPAC(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
SMILESCOc1ccc(C[NH2+]Cc2cccnc2)c(OC)c1
InChIInChI=1S/C15H18N2O2/c1-18-14-6-5-13(15(8-14)19-2)11-17-10-12-4-3-7-16-9-12/h3-9,17H,10-11H2,1-2H3/p+1
InChIKeyQIKNGLMDKSZFGQ-UHFFFAOYSA-O
MW259.33 g/mol
LogP1.36
Rot. Bonds6

About (2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium

(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium (PubChem CID 5045085) has the molecular formula C15H19N2O2+ and a molecular weight of 259.33 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
PubChem CID5045085
Molecular FormulaC15H19N2O2+
Molecular Weight259.33 g/mol
Exact Mass259.14
IUPAC Name(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
SMILESCOc1ccc(C[NH2+]Cc2cccnc2)c(OC)c1
InChIInChI=1S/C15H18N2O2/c1-18-14-6-5-13(15(8-14)19-2)11-17-10-12-4-3-7-16-9-12/h3-9,17H,10-11H2,1-2H3/p+1
InChIKeyQIKNGLMDKSZFGQ-UHFFFAOYSA-O
XLogP1.36
TPSA47.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium 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

(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium
CID 3648787
benzyl-[(2,5-dimethoxyphenyl)methyl]azanium
CID 6963477
[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 69143790
bis(pyridin-3-ylmethyl)azanium
CID 6946562
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
(2,4-dimethoxyphenyl)methyl-[2-(3-fluorophenyl)ethyl]azanium
CID 2063765
(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2163838
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090046
(4-methoxy-2-pyridin-3-yloxyphenyl)methanamine
CID 81299641
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105096059

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The IUPAC name of (2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium (CID 5045085) is (2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium is COc1ccc(C[NH2+]Cc2cccnc2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The InChIKey is QIKNGLMDKSZFGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N2O2/c1-18-14-6-5-13(15(8-14)19-2)11-17-10-12-4-3-7-16-9-12/h3-9,17H,10-11H2,1-2H3/p+1.
What are the key properties of (2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium has a molecular weight of 259.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium is sourced from PubChem (CID 5045085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).