2-methoxy-4-(2-methylimidazol-1-yl)aniline

C11H13N3O — CID 11264154

IUPAC2-methoxy-4-(2-methylimidazol-1-yl)aniline
SMILESCOc1cc(-n2ccnc2C)ccc1N
InChIInChI=1S/C11H13N3O/c1-8-13-5-6-14(8)9-3-4-10(12)11(7-9)15-2/h3-7H,12H2,1-2H3
InChIKeyOMPTXNJJCNXGOG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.77
Rot. Bonds2

About 2-methoxy-4-(2-methylimidazol-1-yl)aniline

2-methoxy-4-(2-methylimidazol-1-yl)aniline (PubChem CID 11264154) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-methoxy-4-(2-methylimidazol-1-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-(2-methylimidazol-1-yl)aniline
PubChem CID11264154
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-methoxy-4-(2-methylimidazol-1-yl)aniline
SMILESCOc1cc(-n2ccnc2C)ccc1N
InChIInChI=1S/C11H13N3O/c1-8-13-5-6-14(8)9-3-4-10(12)11(7-9)15-2/h3-7H,12H2,1-2H3
InChIKeyOMPTXNJJCNXGOG-UHFFFAOYSA-N
XLogP1.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methylimidazol-1-yl)aniline?
The IUPAC name of 2-methoxy-4-(2-methylimidazol-1-yl)aniline (CID 11264154) is 2-methoxy-4-(2-methylimidazol-1-yl)aniline.
What is the SMILES notation for 2-methoxy-4-(2-methylimidazol-1-yl)aniline?
The canonical SMILES for 2-methoxy-4-(2-methylimidazol-1-yl)aniline is COc1cc(-n2ccnc2C)ccc1N.
What is the InChIKey of 2-methoxy-4-(2-methylimidazol-1-yl)aniline?
The InChIKey is OMPTXNJJCNXGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-13-5-6-14(8)9-3-4-10(12)11(7-9)15-2/h3-7H,12H2,1-2H3.
What are the key properties of 2-methoxy-4-(2-methylimidazol-1-yl)aniline?
2-methoxy-4-(2-methylimidazol-1-yl)aniline has a molecular weight of 203.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methylimidazol-1-yl)aniline is sourced from PubChem (CID 11264154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).