2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline

C14H16N2O3 — CID 103171960

IUPAC2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
SMILESCOc1ccnc(COc2ccccc2N)c1OC
InChIInChI=1S/C14H16N2O3/c1-17-13-7-8-16-11(14(13)18-2)9-19-12-6-4-3-5-10(12)15/h3-8H,9,15H2,1-2H3
InChIKeyLJURIPDOXULMPM-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.26
Rot. Bonds5

About 2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline

2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline (PubChem CID 103171960) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
PubChem CID103171960
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
SMILESCOc1ccnc(COc2ccccc2N)c1OC
InChIInChI=1S/C14H16N2O3/c1-17-13-7-8-16-11(14(13)18-2)9-19-12-6-4-3-5-10(12)15/h3-8H,9,15H2,1-2H3
InChIKeyLJURIPDOXULMPM-UHFFFAOYSA-N
XLogP2.26
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline 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

2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 103174172
2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline
CID 103172005
1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 103173312
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171993
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
CID 103171992
2-benzyl-3,4-dimethoxypyridine
CID 141149610
2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline
CID 103173297
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
CID 103172064
[4-chloro-2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]methanamine
CID 103171956

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline?
The IUPAC name of 2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline (CID 103171960) is 2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline is COc1ccnc(COc2ccccc2N)c1OC.
What is the InChIKey of 2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline?
The InChIKey is LJURIPDOXULMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-17-13-7-8-16-11(14(13)18-2)9-19-12-6-4-3-5-10(12)15/h3-8H,9,15H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline?
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline has a molecular weight of 260.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 103171960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).