3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline

C11H13N3O2 — CID 62132202

IUPAC3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline
SMILESCOc1cc(N)ccc1Oc1nccn1C
InChIInChI=1S/C11H13N3O2/c1-14-6-5-13-11(14)16-9-4-3-8(12)7-10(9)15-2/h3-7H,12H2,1-2H3
InChIKeyHOBGOKIKNQLKGQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.80
Rot. Bonds3

About 3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline

3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline (PubChem CID 62132202) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline.

Molecular Properties

Compound Name3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline
PubChem CID62132202
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline
SMILESCOc1cc(N)ccc1Oc1nccn1C
InChIInChI=1S/C11H13N3O2/c1-14-6-5-13-11(14)16-9-4-3-8(12)7-10(9)15-2/h3-7H,12H2,1-2H3
InChIKeyHOBGOKIKNQLKGQ-UHFFFAOYSA-N
XLogP1.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.80
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-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline
CID 63149702
2-(1-methylimidazol-2-yl)oxyphenol
CID 62133680
3-(4-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one
CID 62929350
2-(2-bromo-4-methylphenoxy)-1-methylimidazole
CID 62132553
3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline
CID 62254600
4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline
CID 63871898
1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol
CID 106540139
2-(5-bromo-2-methylphenoxy)-1-methylimidazole
CID 107284503
5-(4-amino-2-methoxyphenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 55241332
3-(4-amino-2-chlorophenoxy)-1-methylpyrazin-2-one
CID 62939580
4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline
CID 55036542
1-methyl-2-(3-methylphenoxy)imidazole
CID 117189440

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline?
The IUPAC name of 3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline (CID 62132202) is 3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline.
What is the SMILES notation for 3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline?
The canonical SMILES for 3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline is COc1cc(N)ccc1Oc1nccn1C.
What is the InChIKey of 3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline?
The InChIKey is HOBGOKIKNQLKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14-6-5-13-11(14)16-9-4-3-8(12)7-10(9)15-2/h3-7H,12H2,1-2H3.
What are the key properties of 3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline?
3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline has a molecular weight of 219.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline is sourced from PubChem (CID 62132202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).