2-benzyl-3,4-dimethoxypyridine

C14H15NO2 — CID 141149610

IUPAC2-benzyl-3,4-dimethoxypyridine
SMILESCOc1ccnc(Cc2ccccc2)c1OC
InChIInChI=1S/C14H15NO2/c1-16-13-8-9-15-12(14(13)17-2)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyUBAQJDOLRXNDKQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.69
Rot. Bonds4

About 2-benzyl-3,4-dimethoxypyridine

2-benzyl-3,4-dimethoxypyridine (PubChem CID 141149610) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-benzyl-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-benzyl-3,4-dimethoxypyridine
PubChem CID141149610
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-benzyl-3,4-dimethoxypyridine
SMILESCOc1ccnc(Cc2ccccc2)c1OC
InChIInChI=1S/C14H15NO2/c1-16-13-8-9-15-12(14(13)17-2)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyUBAQJDOLRXNDKQ-UHFFFAOYSA-N
XLogP2.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-3,4-dimethoxypyridine 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

N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
2-[2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]ethylsulfanylmethyl]-3,4-dimethoxypyridine
CID 176896429
N'-[(4-methoxy-3-phenylmethoxy-2-pyridinyl)methyl]-N-[2-[(4-methoxy-3-phenylmethoxy-2-pyridinyl)methylamino]ethyl]ethane-1,2-diamine
CID 67814371
2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline
CID 103173297
4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol
CID 101394802
3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 103174172
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline
CID 103172005

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-dimethoxypyridine?
The IUPAC name of 2-benzyl-3,4-dimethoxypyridine (CID 141149610) is 2-benzyl-3,4-dimethoxypyridine.
What is the SMILES notation for 2-benzyl-3,4-dimethoxypyridine?
The canonical SMILES for 2-benzyl-3,4-dimethoxypyridine is COc1ccnc(Cc2ccccc2)c1OC.
What is the InChIKey of 2-benzyl-3,4-dimethoxypyridine?
The InChIKey is UBAQJDOLRXNDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-16-13-8-9-15-12(14(13)17-2)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-benzyl-3,4-dimethoxypyridine?
2-benzyl-3,4-dimethoxypyridine has a molecular weight of 229.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-dimethoxypyridine is sourced from PubChem (CID 141149610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).