3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline

C12H15N3O — CID 82512676

IUPAC3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1-n1cc(C)nc1C
InChIInChI=1S/C12H15N3O/c1-8-7-15(9(2)14-8)11-6-10(13)4-5-12(11)16-3/h4-7H,13H2,1-3H3
InChIKeyUUYKLMMCLBYIFT-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.08
Rot. Bonds2

About 3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline

3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline (PubChem CID 82512676) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline.

Molecular Properties

Compound Name3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline
PubChem CID82512676
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1-n1cc(C)nc1C
InChIInChI=1S/C12H15N3O/c1-8-7-15(9(2)14-8)11-6-10(13)4-5-12(11)16-3/h4-7H,13H2,1-3H3
InChIKeyUUYKLMMCLBYIFT-UHFFFAOYSA-N
XLogP2.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-4-methylphenyl)-2,4-dimethylimidazole
CID 91609134
3-(2,4-dimethylimidazol-1-yl)aniline
CID 82512201
1-(2-methoxy-5-methylphenyl)-N,4-dimethylimidazol-2-amine
CID 106557791
4-methoxy-3-(5-propan-2-ylimidazol-1-yl)aniline
CID 82513081
3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline
CID 79689324
8-methoxy-2-methylimidazo[1,2-a]pyridin-6-amine
CID 83520319
4-methoxy-3-(1,2,4-triazol-1-yl)aniline
CID 82512225
3-(3-bromo-2,5-dimethylpyrrol-1-yl)-4-methoxyaniline
CID 82514607
3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline
CID 114272204
3-[4-(3,4-dimethylphenyl)triazol-1-yl]-4-methoxyaniline
CID 82369836
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
ethane;1-(5-fluoro-3-methoxy-2-nitrophenyl)-2,4-dimethylimidazole
CID 143812513

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline?
The IUPAC name of 3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline (CID 82512676) is 3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline.
What is the SMILES notation for 3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline?
The canonical SMILES for 3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline is COc1ccc(N)cc1-n1cc(C)nc1C.
What is the InChIKey of 3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline?
The InChIKey is UUYKLMMCLBYIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-7-15(9(2)14-8)11-6-10(13)4-5-12(11)16-3/h4-7H,13H2,1-3H3.
What are the key properties of 3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline?
3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline has a molecular weight of 217.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline is sourced from PubChem (CID 82512676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).