2-(2-ethylimidazol-1-yl)-5-methylaniline

C12H15N3 — CID 61402224

IUPAC2-(2-ethylimidazol-1-yl)-5-methylaniline
SMILESCCc1nccn1-c1ccc(C)cc1N
InChIInChI=1S/C12H15N3/c1-3-12-14-6-7-15(12)11-5-4-9(2)8-10(11)13/h4-8H,3,13H2,1-2H3
InChIKeyBEOQXVISNFAMNX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.33
Rot. Bonds2

About 2-(2-ethylimidazol-1-yl)-5-methylaniline

2-(2-ethylimidazol-1-yl)-5-methylaniline (PubChem CID 61402224) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-5-methylaniline.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-5-methylaniline
PubChem CID61402224
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-(2-ethylimidazol-1-yl)-5-methylaniline
SMILESCCc1nccn1-c1ccc(C)cc1N
InChIInChI=1S/C12H15N3/c1-3-12-14-6-7-15(12)11-5-4-9(2)8-10(11)13/h4-8H,3,13H2,1-2H3
InChIKeyBEOQXVISNFAMNX-UHFFFAOYSA-N
XLogP2.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-ethylimidazol-1-yl)-5-methylaniline?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-5-methylaniline (CID 61402224) is 2-(2-ethylimidazol-1-yl)-5-methylaniline.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-5-methylaniline?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-5-methylaniline is CCc1nccn1-c1ccc(C)cc1N.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-5-methylaniline?
The InChIKey is BEOQXVISNFAMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-12-14-6-7-15(12)11-5-4-9(2)8-10(11)13/h4-8H,3,13H2,1-2H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-5-methylaniline?
2-(2-ethylimidazol-1-yl)-5-methylaniline has a molecular weight of 201.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-5-methylaniline is sourced from PubChem (CID 61402224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).