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

C12H15N3 — CID 63976847

IUPAC1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1-c1nccn1C
InChIInChI=1S/C12H15N3/c1-9(13)10-5-3-4-6-11(10)12-14-7-8-15(12)2/h3-9H,13H2,1-2H3
InChIKeyQGTRUPATSXYTSK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.11
Rot. Bonds2

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

1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine (PubChem CID 63976847) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine
PubChem CID63976847
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1-c1nccn1C
InChIInChI=1S/C12H15N3/c1-9(13)10-5-3-4-6-11(10)12-14-7-8-15(12)2/h3-9H,13H2,1-2H3
InChIKeyQGTRUPATSXYTSK-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine (CID 63976847) is 1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine is CC(N)c1ccccc1-c1nccn1C.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine?
The InChIKey is QGTRUPATSXYTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9(13)10-5-3-4-6-11(10)12-14-7-8-15(12)2/h3-9H,13H2,1-2H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine?
1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 63976847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).