2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine

C15H24BrN3 — CID 84607204

IUPAC2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
SMILESCN1CC(C)(C)N(c2cccc(Br)c2)CC1CCN
InChIInChI=1S/C15H24BrN3/c1-15(2)11-18(3)14(7-8-17)10-19(15)13-6-4-5-12(16)9-13/h4-6,9,14H,7-8,10-11,17H2,1-3H3
InChIKeyIOVHQCIAURCFMH-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.70
Rot. Bonds3

About 2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine

2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine (PubChem CID 84607204) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
PubChem CID84607204
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
SMILESCN1CC(C)(C)N(c2cccc(Br)c2)CC1CCN
InChIInChI=1S/C15H24BrN3/c1-15(2)11-18(3)14(7-8-17)10-19(15)13-6-4-5-12(16)9-13/h4-6,9,14H,7-8,10-11,17H2,1-3H3
InChIKeyIOVHQCIAURCFMH-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-(2-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
CID 84607203
2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol
CID 117018566
1-(3-bromophenyl)-5,5-dimethylpyrrolidine-3-carbonitrile
CID 117018351
1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018258
[4-(3-bromophenyl)-1,6,6-trimethyl-1,4-diazepan-2-yl]methanol
CID 84608336
[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol
CID 84608205
[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020724
2-[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]acetonitrile
CID 84610854
2-[4-(4-bromo-3-methylphenyl)-1-methyl-1,4-diazepan-2-yl]ethanamine
CID 84607307
1-(3-bromophenyl)azetidin-3-amine
CID 117002846
2-[1-(3-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017376
1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine
CID 64926247

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine?
The IUPAC name of 2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine (CID 84607204) is 2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine is CN1CC(C)(C)N(c2cccc(Br)c2)CC1CCN.
What is the InChIKey of 2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine?
The InChIKey is IOVHQCIAURCFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-15(2)11-18(3)14(7-8-17)10-19(15)13-6-4-5-12(16)9-13/h4-6,9,14H,7-8,10-11,17H2,1-3H3.
What are the key properties of 2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine?
2-[4-(3-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-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine is sourced from PubChem (CID 84607204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).