2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine

C12H15N3 — CID 63817285

IUPAC2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
SMILESCc1nccn1-c1ccc(CCN)cc1
InChIInChI=1S/C12H15N3/c1-10-14-8-9-15(10)12-4-2-11(3-5-12)6-7-13/h2-5,8-9H,6-7,13H2,1H3
InChIKeyAOXFDCORANXDEN-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.68
Rot. Bonds3

About 2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine

2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine (PubChem CID 63817285) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
PubChem CID63817285
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
SMILESCc1nccn1-c1ccc(CCN)cc1
InChIInChI=1S/C12H15N3/c1-10-14-8-9-15(10)12-4-2-11(3-5-12)6-7-13/h2-5,8-9H,6-7,13H2,1H3
InChIKeyAOXFDCORANXDEN-UHFFFAOYSA-N
XLogP1.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-methylimidazol-1-yl)phenyl]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-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine (CID 63817285) is 2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine is Cc1nccn1-c1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
The InChIKey is AOXFDCORANXDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-14-8-9-15(10)12-4-2-11(3-5-12)6-7-13/h2-5,8-9H,6-7,13H2,1H3.
What are the key properties of 2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine has a molecular weight of 201.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63817285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).