2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine

C14H19N3 — CID 116834796

IUPAC2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN)c2ncc[nH]2)cc1
InChIInChI=1S/C14H19N3/c1-10(2)11-3-5-12(6-4-11)13(9-15)14-16-7-8-17-14/h3-8,10,13H,9,15H2,1-2H3,(H,16,17)
InChIKeyLGZYNEWVQJIMOO-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.62
Rot. Bonds4

About 2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine

2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 116834796) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID116834796
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(CN)c2ncc[nH]2)cc1
InChIInChI=1S/C14H19N3/c1-10(2)11-3-5-12(6-4-11)13(9-15)14-16-7-8-17-14/h3-8,10,13H,9,15H2,1-2H3,(H,16,17)
InChIKeyLGZYNEWVQJIMOO-UHFFFAOYSA-N
XLogP2.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.62
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-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine (CID 116834796) is 2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(CN)c2ncc[nH]2)cc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is LGZYNEWVQJIMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)11-3-5-12(6-4-11)13(9-15)14-16-7-8-17-14/h3-8,10,13H,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
2-(1H-imidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.62, 4 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-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 116834796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).