2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine

C14H18BrN3 — CID 55022789

IUPAC2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
SMILESCC(C)c1nccn1C(CN)c1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-10(2)14-17-7-8-18(14)13(9-16)11-5-3-4-6-12(11)15/h3-8,10,13H,9,16H2,1-2H3
InChIKeyLAJBXRWCBPIJIA-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.32
Rot. Bonds4

About 2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine

2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine (PubChem CID 55022789) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
PubChem CID55022789
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
SMILESCC(C)c1nccn1C(CN)c1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-10(2)14-17-7-8-18(14)13(9-16)11-5-3-4-6-12(11)15/h3-8,10,13H,9,16H2,1-2H3
InChIKeyLAJBXRWCBPIJIA-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine (CID 55022789) is 2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine is CC(C)c1nccn1C(CN)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
The InChIKey is LAJBXRWCBPIJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-10(2)14-17-7-8-18(14)13(9-16)11-5-3-4-6-12(11)15/h3-8,10,13H,9,16H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine?
2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine is sourced from PubChem (CID 55022789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).