1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine

C16H24Br2N2 — CID 114515232

IUPAC1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
SMILESCC(NCCC1CCN(C)CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H24Br2N2/c1-12(15-4-3-14(17)11-16(15)18)19-8-5-13-6-9-20(2)10-7-13/h3-4,11-13,19H,5-10H2,1-2H3
InChIKeyQFDTZJXDLNPOTK-UHFFFAOYSA-N
MW404.19 g/mol
LogP4.59
Rot. Bonds5

About 1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine

1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine (PubChem CID 114515232) has the molecular formula C16H24Br2N2 and a molecular weight of 404.19 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
PubChem CID114515232
Molecular FormulaC16H24Br2N2
Molecular Weight404.19 g/mol
Exact Mass402.03
IUPAC Name1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
SMILESCC(NCCC1CCN(C)CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H24Br2N2/c1-12(15-4-3-14(17)11-16(15)18)19-8-5-13-6-9-20(2)10-7-13/h3-4,11-13,19H,5-10H2,1-2H3
InChIKeyQFDTZJXDLNPOTK-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.19
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416
5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol
CID 104583290
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 63454032
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
CID 114515122
1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60781399
N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569
N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781645
4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 104582302
N-[1-(2,4-dibromophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115717601
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106758148
1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717489
N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60781144

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine (CID 114515232) is 1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine is CC(NCCC1CCN(C)CC1)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine?
The InChIKey is QFDTZJXDLNPOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2N2/c1-12(15-4-3-14(17)11-16(15)18)19-8-5-13-6-9-20(2)10-7-13/h3-4,11-13,19H,5-10H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine?
1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine has a molecular weight of 404.19 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine is sourced from PubChem (CID 114515232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).