2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine

C12H15N3 — CID 116834897

IUPAC2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)c1ncc[nH]1
InChIInChI=1S/C12H15N3/c1-9-4-2-3-5-10(9)11(8-13)12-14-6-7-15-12/h2-7,11H,8,13H2,1H3,(H,14,15)
InChIKeyHBHNKSXIPLMPRK-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.81
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine

2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine (PubChem CID 116834897) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine
PubChem CID116834897
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)c1ncc[nH]1
InChIInChI=1S/C12H15N3/c1-9-4-2-3-5-10(9)11(8-13)12-14-6-7-15-12/h2-7,11H,8,13H2,1H3,(H,14,15)
InChIKeyHBHNKSXIPLMPRK-UHFFFAOYSA-N
XLogP1.81
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine (CID 116834897) is 2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine is Cc1ccccc1C(CN)c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine?
The InChIKey is HBHNKSXIPLMPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-4-2-3-5-10(9)11(8-13)12-14-6-7-15-12/h2-7,11H,8,13H2,1H3,(H,14,15).
What are the key properties of 2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine?
2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine has a molecular weight of 201.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 116834897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).