2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine

C15H18N2O2 — CID 39226574

IUPAC2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine
SMILESCOc1cc(CCN)cc(-c2cccnc2)c1OC
InChIInChI=1S/C15H18N2O2/c1-18-14-9-11(5-6-16)8-13(15(14)19-2)12-4-3-7-17-10-12/h3-4,7-10H,5-6,16H2,1-2H3
InChIKeyAIOJXHQCQBWUDY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.27
Rot. Bonds5

About 2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine

2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine (PubChem CID 39226574) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine
PubChem CID39226574
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine
SMILESCOc1cc(CCN)cc(-c2cccnc2)c1OC
InChIInChI=1S/C15H18N2O2/c1-18-14-9-11(5-6-16)8-13(15(14)19-2)12-4-3-7-17-10-12/h3-4,7-10H,5-6,16H2,1-2H3
InChIKeyAIOJXHQCQBWUDY-UHFFFAOYSA-N
XLogP2.27
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802
[3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine
CID 39222393
3,4-dimethoxy-5-pyridin-3-ylbenzonitrile
CID 39231339
2-(3,4-dimethoxy-5-pyridin-2-ylphenyl)ethanamine
CID 39226519
3-(2,3-dimethoxyphenyl)pyridine
CID 22001178
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
CID 82039989
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine
CID 82038950
3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid
CID 110447340
1-pyridin-3-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921716
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine (CID 39226574) is 2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine is COc1cc(CCN)cc(-c2cccnc2)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine?
The InChIKey is AIOJXHQCQBWUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-14-9-11(5-6-16)8-13(15(14)19-2)12-4-3-7-17-10-12/h3-4,7-10H,5-6,16H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine?
2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine has a molecular weight of 258.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine is sourced from PubChem (CID 39226574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).