3-(2-imidazol-1-ylethoxy)aniline

C11H13N3O — CID 14347226

IUPAC3-(2-imidazol-1-ylethoxy)aniline
SMILESNc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C11H13N3O/c12-10-2-1-3-11(8-10)15-7-6-14-5-4-13-9-14/h1-5,8-9H,6-7,12H2
InChIKeyMSHCBMNAPXVHPU-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.54
Rot. Bonds4

About 3-(2-imidazol-1-ylethoxy)aniline

3-(2-imidazol-1-ylethoxy)aniline (PubChem CID 14347226) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(2-imidazol-1-ylethoxy)aniline.

Molecular Properties

Compound Name3-(2-imidazol-1-ylethoxy)aniline
PubChem CID14347226
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-(2-imidazol-1-ylethoxy)aniline
SMILESNc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C11H13N3O/c12-10-2-1-3-11(8-10)15-7-6-14-5-4-13-9-14/h1-5,8-9H,6-7,12H2
InChIKeyMSHCBMNAPXVHPU-UHFFFAOYSA-N
XLogP1.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.54
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 3-(2-imidazol-1-ylethoxy)aniline?
The IUPAC name of 3-(2-imidazol-1-ylethoxy)aniline (CID 14347226) is 3-(2-imidazol-1-ylethoxy)aniline.
What is the SMILES notation for 3-(2-imidazol-1-ylethoxy)aniline?
The canonical SMILES for 3-(2-imidazol-1-ylethoxy)aniline is Nc1cccc(OCCn2ccnc2)c1.
What is the InChIKey of 3-(2-imidazol-1-ylethoxy)aniline?
The InChIKey is MSHCBMNAPXVHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-10-2-1-3-11(8-10)15-7-6-14-5-4-13-9-14/h1-5,8-9H,6-7,12H2.
What are the key properties of 3-(2-imidazol-1-ylethoxy)aniline?
3-(2-imidazol-1-ylethoxy)aniline has a molecular weight of 203.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazol-1-ylethoxy)aniline is sourced from PubChem (CID 14347226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).