4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine

C12H14BrN3O — CID 117191924

IUPAC4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
SMILESCCn1cc(COc2cccc(Br)c2)nc1N
InChIInChI=1S/C12H14BrN3O/c1-2-16-7-10(15-12(16)14)8-17-11-5-3-4-9(13)6-11/h3-7H,2,8H2,1H3,(H2,14,15)
InChIKeyJRXLMOQPXWYVKR-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.83
Rot. Bonds4

About 4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine

4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine (PubChem CID 117191924) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine.

Molecular Properties

Compound Name4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
PubChem CID117191924
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
SMILESCCn1cc(COc2cccc(Br)c2)nc1N
InChIInChI=1S/C12H14BrN3O/c1-2-16-7-10(15-12(16)14)8-17-11-5-3-4-9(13)6-11/h3-7H,2,8H2,1H3,(H2,14,15)
InChIKeyJRXLMOQPXWYVKR-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

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Related Compounds

4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191974
6-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 79239271
4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
CID 117191932
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
CID 28913045
5-bromo-2-[(3-bromophenoxy)methyl]pyridine
CID 104797443
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239184
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole
CID 117187302
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
1-methyl-4-(phenoxymethyl)imidazol-2-amine
CID 117191438
5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine
CID 117216893
5-[(3-bromophenoxy)methyl]-1-methylpyrazol-4-amine
CID 117217778

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine?
The IUPAC name of 4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine (CID 117191924) is 4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine.
What is the SMILES notation for 4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine?
The canonical SMILES for 4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine is CCn1cc(COc2cccc(Br)c2)nc1N.
What is the InChIKey of 4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine?
The InChIKey is JRXLMOQPXWYVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-2-16-7-10(15-12(16)14)8-17-11-5-3-4-9(13)6-11/h3-7H,2,8H2,1H3,(H2,14,15).
What are the key properties of 4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine?
4-[(3-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-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine is sourced from PubChem (CID 117191924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).