2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine

C13H17N3 — CID 82471356

IUPAC2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine
SMILESCCc1ccc(-n2cnc(CCN)c2)cc1
InChIInChI=1S/C13H17N3/c1-2-11-3-5-13(6-4-11)16-9-12(7-8-14)15-10-16/h3-6,9-10H,2,7-8,14H2,1H3
InChIKeyRZPRDBXESFUCMO-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.94
Rot. Bonds4

About 2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine

2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine (PubChem CID 82471356) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine
PubChem CID82471356
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine
SMILESCCc1ccc(-n2cnc(CCN)c2)cc1
InChIInChI=1S/C13H17N3/c1-2-11-3-5-13(6-4-11)16-9-12(7-8-14)15-10-16/h3-6,9-10H,2,7-8,14H2,1H3
InChIKeyRZPRDBXESFUCMO-UHFFFAOYSA-N
XLogP1.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine (CID 82471356) is 2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine is CCc1ccc(-n2cnc(CCN)c2)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine?
The InChIKey is RZPRDBXESFUCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-11-3-5-13(6-4-11)16-9-12(7-8-14)15-10-16/h3-6,9-10H,2,7-8,14H2,1H3.
What are the key properties of 2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine?
2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 82471356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).