2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine

C12H13BrFN3 — CID 119111554

IUPAC2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
SMILESFc1ccc(Br)cc1CCNCc1ncc[nH]1
InChIInChI=1S/C12H13BrFN3/c13-10-1-2-11(14)9(7-10)3-4-15-8-12-16-5-6-17-12/h1-2,5-7,15H,3-4,8H2,(H,16,17)
InChIKeyLJZLDLVTDBWSCK-UHFFFAOYSA-N
MW298.16 g/mol
LogP2.64
Rot. Bonds5

About 2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine

2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine (PubChem CID 119111554) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
PubChem CID119111554
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
SMILESFc1ccc(Br)cc1CCNCc1ncc[nH]1
InChIInChI=1S/C12H13BrFN3/c13-10-1-2-11(14)9(7-10)3-4-15-8-12-16-5-6-17-12/h1-2,5-7,15H,3-4,8H2,(H,16,17)
InChIKeyLJZLDLVTDBWSCK-UHFFFAOYSA-N
XLogP2.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63820703
N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine
CID 115195477
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 115196046
N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 82682280
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694333
2-[2-(5-bromo-2-fluorophenyl)ethylamino]acetamide
CID 20823780
1-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136189
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718565
3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 63226322
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
N-[(4-bromo-3-chlorophenyl)methyl]-2-(1H-imidazol-2-yl)ethanamine
CID 114076658
1-(3-bromo-4-methylphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 105401529

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine (CID 119111554) is 2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine is Fc1ccc(Br)cc1CCNCc1ncc[nH]1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine?
The InChIKey is LJZLDLVTDBWSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c13-10-1-2-11(14)9(7-10)3-4-15-8-12-16-5-6-17-12/h1-2,5-7,15H,3-4,8H2,(H,16,17).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine?
2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine has a molecular weight of 298.16 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 119111554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).