2-ethyl-6-imidazol-1-ylaniline

C11H13N3 — CID 84661065

IUPAC2-ethyl-6-imidazol-1-ylaniline
SMILESCCc1cccc(-n2ccnc2)c1N
InChIInChI=1S/C11H13N3/c1-2-9-4-3-5-10(11(9)12)14-7-6-13-8-14/h3-8H,2,12H2,1H3
InChIKeyXCBKZIZZOCUFCB-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.02
Rot. Bonds2

About 2-ethyl-6-imidazol-1-ylaniline

2-ethyl-6-imidazol-1-ylaniline (PubChem CID 84661065) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-ethyl-6-imidazol-1-ylaniline.

Molecular Properties

Compound Name2-ethyl-6-imidazol-1-ylaniline
PubChem CID84661065
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-ethyl-6-imidazol-1-ylaniline
SMILESCCc1cccc(-n2ccnc2)c1N
InChIInChI=1S/C11H13N3/c1-2-9-4-3-5-10(11(9)12)14-7-6-13-8-14/h3-8H,2,12H2,1H3
InChIKeyXCBKZIZZOCUFCB-UHFFFAOYSA-N
XLogP2.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-ethyl-2-imidazol-1-ylphenyl)methanamine
CID 84670177
1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
1-(2-imidazol-1-ylphenyl)-N,N-dimethylmethanamine
CID 175241925
2-imidazol-1-ylaniline;dihydrochloride
CID 46786017
3-imidazol-1-yl-2-methoxyaniline
CID 166843849
1-[2-(methylsulfanylmethyl)phenyl]imidazole;hydrobromide
CID 162319844
3-imidazol-1-yl-2-(methylsulfanylmethyl)aniline
CID 154245904
1-(2-imidazol-1-ylphenyl)propan-1-one
CID 18474619
bis(1-[2-(methylsulfanylmethyl)phenyl]imidazole);oxalic acid
CID 162028325
1-naphthalen-1-ylimidazole;hydrochloride
CID 175383926

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-imidazol-1-ylaniline?
The IUPAC name of 2-ethyl-6-imidazol-1-ylaniline (CID 84661065) is 2-ethyl-6-imidazol-1-ylaniline.
What is the SMILES notation for 2-ethyl-6-imidazol-1-ylaniline?
The canonical SMILES for 2-ethyl-6-imidazol-1-ylaniline is CCc1cccc(-n2ccnc2)c1N.
What is the InChIKey of 2-ethyl-6-imidazol-1-ylaniline?
The InChIKey is XCBKZIZZOCUFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-9-4-3-5-10(11(9)12)14-7-6-13-8-14/h3-8H,2,12H2,1H3.
What are the key properties of 2-ethyl-6-imidazol-1-ylaniline?
2-ethyl-6-imidazol-1-ylaniline has a molecular weight of 187.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-imidazol-1-ylaniline is sourced from PubChem (CID 84661065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).