2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine

C15H17NO2 — CID 155550591

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine
SMILESCOc1ccc(CCc2ccccn2)cc1OC
InChIInChI=1S/C15H17NO2/c1-17-14-9-7-12(11-15(14)18-2)6-8-13-5-3-4-10-16-13/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeyYVRDUVJDISWCDN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.88
Rot. Bonds5

About 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine

2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine (PubChem CID 155550591) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine
PubChem CID155550591
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine
SMILESCOc1ccc(CCc2ccccn2)cc1OC
InChIInChI=1S/C15H17NO2/c1-17-14-9-7-12(11-15(14)18-2)6-8-13-5-3-4-10-16-13/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeyYVRDUVJDISWCDN-UHFFFAOYSA-N
XLogP2.88
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Papaverine
CID 4680
Bisacodyl
CID 2391
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
Ethaverine Hydrochloride
CID 5702159
Palmatine
CID 19009
PF-07038124
CID 148293990
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
6-Methoxyquinoline
CID 14860
6,7-Dimethoxy-1-methylisoquinoline
CID 20725
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine (CID 155550591) is 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine is COc1ccc(CCc2ccccn2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine?
The InChIKey is YVRDUVJDISWCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-17-14-9-7-12(11-15(14)18-2)6-8-13-5-3-4-10-16-13/h3-5,7,9-11H,6,8H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine?
2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine has a molecular weight of 243.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine is sourced from PubChem (CID 155550591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).