2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine

C13H16BrN3 — CID 114061995

IUPAC2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine
SMILESCCc1nccn1-c1ccc(Br)cc1CCN
InChIInChI=1S/C13H16BrN3/c1-2-13-16-7-8-17(13)12-4-3-11(14)9-10(12)5-6-15/h3-4,7-9H,2,5-6,15H2,1H3
InChIKeyPCJWNQVIIZFQGK-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.70
Rot. Bonds4

About 2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine

2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine (PubChem CID 114061995) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine
PubChem CID114061995
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine
SMILESCCc1nccn1-c1ccc(Br)cc1CCN
InChIInChI=1S/C13H16BrN3/c1-2-13-16-7-8-17(13)12-4-3-11(14)9-10(12)5-6-15/h3-4,7-9H,2,5-6,15H2,1H3
InChIKeyPCJWNQVIIZFQGK-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)-4-chlorophenyl]-2-ethylimidazole
CID 107085942
4-(2-ethylimidazol-1-yl)-3-fluoroaniline
CID 19627195
2-[3-(2-ethylimidazol-1-yl)phenyl]ethanamine
CID 63941357
6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline
CID 110436010
2-(2-ethylimidazol-1-yl)-5-methylaniline
CID 61402224
5-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 114892684
1-[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 63816962
4-(2-ethylimidazol-1-yl)-3-(trifluoromethyl)aniline
CID 61402459
3-bromo-4-(2-ethylimidazol-1-yl)pyridine
CID 104778672
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63782936
1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole
CID 107085938
(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
CID 55182802

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine (CID 114061995) is 2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine is CCc1nccn1-c1ccc(Br)cc1CCN.
What is the InChIKey of 2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine?
The InChIKey is PCJWNQVIIZFQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-2-13-16-7-8-17(13)12-4-3-11(14)9-10(12)5-6-15/h3-4,7-9H,2,5-6,15H2,1H3.
What are the key properties of 2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine?
2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 114061995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).