2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine

C15H24BrN3 — CID 84607203

IUPAC2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
SMILESCN1CC(C)(C)N(c2ccccc2Br)CC1CCN
InChIInChI=1S/C15H24BrN3/c1-15(2)11-18(3)12(8-9-17)10-19(15)14-7-5-4-6-13(14)16/h4-7,12H,8-11,17H2,1-3H3
InChIKeyMXUNGYFBIGCDCL-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.70
Rot. Bonds3

About 2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine

2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine (PubChem CID 84607203) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
PubChem CID84607203
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
SMILESCN1CC(C)(C)N(c2ccccc2Br)CC1CCN
InChIInChI=1S/C15H24BrN3/c1-15(2)11-18(3)12(8-9-17)10-19(15)14-7-5-4-6-13(14)16/h4-7,12H,8-11,17H2,1-3H3
InChIKeyMXUNGYFBIGCDCL-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine 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-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine?
The IUPAC name of 2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine (CID 84607203) is 2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine is CN1CC(C)(C)N(c2ccccc2Br)CC1CCN.
What is the InChIKey of 2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine?
The InChIKey is MXUNGYFBIGCDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-15(2)11-18(3)12(8-9-17)10-19(15)14-7-5-4-6-13(14)16/h4-7,12H,8-11,17H2,1-3H3.
What are the key properties of 2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine?
2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine has a molecular weight of 326.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine is sourced from PubChem (CID 84607203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).