2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine

C14H18BrN3 — CID 79744166

IUPAC2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine
SMILESCCn1ccnc1CC(C)(N)c1cccc(Br)c1
InChIInChI=1S/C14H18BrN3/c1-3-18-8-7-17-13(18)10-14(2,16)11-5-4-6-12(15)9-11/h4-9H,3,10,16H2,1-2H3
InChIKeySGPZOJOCKVVKPM-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.08
Rot. Bonds4

About 2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine

2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine (PubChem CID 79744166) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine
PubChem CID79744166
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine
SMILESCCn1ccnc1CC(C)(N)c1cccc(Br)c1
InChIInChI=1S/C14H18BrN3/c1-3-18-8-7-17-13(18)10-14(2,16)11-5-4-6-12(15)9-11/h4-9H,3,10,16H2,1-2H3
InChIKeySGPZOJOCKVVKPM-UHFFFAOYSA-N
XLogP3.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenyl)-1-(1-ethylimidazol-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine?
The IUPAC name of 2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine (CID 79744166) is 2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine is CCn1ccnc1CC(C)(N)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine?
The InChIKey is SGPZOJOCKVVKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-18-8-7-17-13(18)10-14(2,16)11-5-4-6-12(15)9-11/h4-9H,3,10,16H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine?
2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine has a molecular weight of 308.22 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79744166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).