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

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Related Compounds

2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
CID 84607204
2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017594
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 115003408
2-[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]acetonitrile
CID 84610854
2-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine
CID 117198825
1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018125
2-[4-(4-bromo-3-methylphenyl)-1-methyl-1,4-diazepan-2-yl]ethanamine
CID 84607307
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
CID 117002429
2-(1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
CID 84618930
2-[7-(2-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanamine
CID 84606197
1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018127
1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016957

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).