3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline

C16H20N2O3 — CID 62110783

IUPAC3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
SMILESCOc1cc(N)ccc1OCc1ncc(C)c(OC)c1C
InChIInChI=1S/C16H20N2O3/c1-10-8-18-13(11(2)16(10)20-4)9-21-14-6-5-12(17)7-15(14)19-3/h5-8H,9,17H2,1-4H3
InChIKeyKZYSTNUFDJSAMU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.88
Rot. Bonds5

About 3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline

3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline (PubChem CID 62110783) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
PubChem CID62110783
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
SMILESCOc1cc(N)ccc1OCc1ncc(C)c(OC)c1C
InChIInChI=1S/C16H20N2O3/c1-10-8-18-13(11(2)16(10)20-4)9-21-14-6-5-12(17)7-15(14)19-3/h5-8H,9,17H2,1-4H3
InChIKeyKZYSTNUFDJSAMU-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

2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 107698932
[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 28981665
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79163828
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 43324923
5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 103482976
2-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-4-methoxy-3,5-dimethylpyridine
CID 79163845
2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 60905899
1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
1-(3-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548641
3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268
4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline
CID 58858055

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline?
The IUPAC name of 3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline (CID 62110783) is 3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline is COc1cc(N)ccc1OCc1ncc(C)c(OC)c1C.
What is the InChIKey of 3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline?
The InChIKey is KZYSTNUFDJSAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-8-18-13(11(2)16(10)20-4)9-21-14-6-5-12(17)7-15(14)19-3/h5-8H,9,17H2,1-4H3.
What are the key properties of 3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline?
3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline 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 3-methoxy-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 62110783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).