4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine

C12H14BrN3O — CID 117191974

IUPAC4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine
SMILESCCn1cc(COc2ccc(Br)cc2)nc1N
InChIInChI=1S/C12H14BrN3O/c1-2-16-7-10(15-12(16)14)8-17-11-5-3-9(13)4-6-11/h3-7H,2,8H2,1H3,(H2,14,15)
InChIKeyTYRROMXGBLJQEN-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.83
Rot. Bonds4

About 4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine

4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine (PubChem CID 117191974) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine.

Molecular Properties

Compound Name4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine
PubChem CID117191974
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine
SMILESCCn1cc(COc2ccc(Br)cc2)nc1N
InChIInChI=1S/C12H14BrN3O/c1-2-16-7-10(15-12(16)14)8-17-11-5-3-9(13)4-6-11/h3-7H,2,8H2,1H3,(H2,14,15)
InChIKeyTYRROMXGBLJQEN-UHFFFAOYSA-N
XLogP2.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191924
4-[(4-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
CID 117191982
1-methyl-4-(phenoxymethyl)imidazol-2-amine
CID 117191438
4-bromo-1-ethylimidazol-2-amine
CID 117189629
4-[(4-bromophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55215150
3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773438
[3-[(4-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895549
4-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117187606
2-[(4-bromophenoxy)methyl]-6-chloropyridine
CID 79240676
2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole
CID 62736409
2-bromo-4-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 117191965

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine?
The IUPAC name of 4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine (CID 117191974) is 4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine.
What is the SMILES notation for 4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine?
The canonical SMILES for 4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine is CCn1cc(COc2ccc(Br)cc2)nc1N.
What is the InChIKey of 4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine?
The InChIKey is TYRROMXGBLJQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-2-16-7-10(15-12(16)14)8-17-11-5-3-9(13)4-6-11/h3-7H,2,8H2,1H3,(H2,14,15).
What are the key properties of 4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine?
4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine has a molecular weight of 296.17 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine is sourced from PubChem (CID 117191974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).