4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline

C16H20N2O3 — CID 103171992

IUPAC4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
SMILESCOc1ccnc(COc2c(C)cc(N)cc2C)c1OC
InChIInChI=1S/C16H20N2O3/c1-10-7-12(17)8-11(2)15(10)21-9-13-16(20-4)14(19-3)5-6-18-13/h5-8H,9,17H2,1-4H3
InChIKeyWIVVICULUZPTST-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.88
Rot. Bonds5

About 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline

4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline (PubChem CID 103171992) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
PubChem CID103171992
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
SMILESCOc1ccnc(COc2c(C)cc(N)cc2C)c1OC
InChIInChI=1S/C16H20N2O3/c1-10-7-12(17)8-11(2)15(10)21-9-13-16(20-4)14(19-3)5-6-18-13/h5-8H,9,17H2,1-4H3
InChIKeyWIVVICULUZPTST-UHFFFAOYSA-N
XLogP2.88
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171993
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 103173022
[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
2-[(3-fluorophenoxy)methyl]-3,4-dimethoxypyridine
CID 103174166
(3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate
CID 103173752
2-benzyl-3,4-dimethoxypyridine
CID 141149610
5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 103172820

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline?
The IUPAC name of 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline (CID 103171992) is 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline.
What is the SMILES notation for 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline?
The canonical SMILES for 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline is COc1ccnc(COc2c(C)cc(N)cc2C)c1OC.
What is the InChIKey of 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline?
The InChIKey is WIVVICULUZPTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-7-12(17)8-11(2)15(10)21-9-13-16(20-4)14(19-3)5-6-18-13/h5-8H,9,17H2,1-4H3.
What are the key properties of 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline?
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline has a molecular weight of 288.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline is sourced from PubChem (CID 103171992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).