1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine

C14H18BrN3O — CID 63095826

IUPAC1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nccn1CCOc1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O/c1-11(16)10-14-17-6-7-18(14)8-9-19-13-4-2-12(15)3-5-13/h2-7,11H,8-10,16H2,1H3
InChIKeyDVQIXGCOITUICW-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.61
Rot. Bonds6

About 1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine

1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine (PubChem CID 63095826) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine
PubChem CID63095826
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nccn1CCOc1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O/c1-11(16)10-14-17-6-7-18(14)8-9-19-13-4-2-12(15)3-5-13/h2-7,11H,8-10,16H2,1H3
InChIKeyDVQIXGCOITUICW-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-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

1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-2-yl]propan-2-amine
CID 66405263
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114527270
1-(1-octylimidazol-2-yl)propan-2-amine
CID 63096350
1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine
CID 63095648
1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine
CID 79790646
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]propan-2-amine
CID 55181651
1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114530902
1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]propan-2-amine
CID 66405662
1-[5-[2-(1-methylimidazol-2-yl)ethoxy]-2-pyridinyl]propan-2-amine
CID 114530931
1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79762429
1-[1-[2-(4-bromophenoxy)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79096865

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine (CID 63095826) is 1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine is CC(N)Cc1nccn1CCOc1ccc(Br)cc1.
What is the InChIKey of 1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine?
The InChIKey is DVQIXGCOITUICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-11(16)10-14-17-6-7-18(14)8-9-19-13-4-2-12(15)3-5-13/h2-7,11H,8-10,16H2,1H3.
What are the key properties of 1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine?
1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine has a molecular weight of 324.22 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 63095826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).