1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine

C15H24BrN3 — CID 82972475

IUPAC1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1N1CCN(C)CC1
InChIInChI=1S/C15H24BrN3/c1-4-17-12(2)14-11-13(16)5-6-15(14)19-9-7-18(3)8-10-19/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyWDGKBLHYDBUDBX-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.87
Rot. Bonds4

About 1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine

1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine (PubChem CID 82972475) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
PubChem CID82972475
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1N1CCN(C)CC1
InChIInChI=1S/C15H24BrN3/c1-4-17-12(2)14-11-13(16)5-6-15(14)19-9-7-18(3)8-10-19/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyWDGKBLHYDBUDBX-UHFFFAOYSA-N
XLogP2.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 82971422
1-[4-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956165
1-[5-bromo-2-(4-methylazepan-1-yl)phenyl]-N-ethylethanamine
CID 82968313
1-[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959026
1-[5-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]-N-ethylethanamine
CID 103534496
1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958887
1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine
CID 82953888
1-[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]-N-ethylethanamine
CID 114410466
1-[4-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956361
1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 102958978
1-[4-bromo-2-(3,4-dimethylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 82968312
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine (CID 82972475) is 1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1N1CCN(C)CC1.
What is the InChIKey of 1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine?
The InChIKey is WDGKBLHYDBUDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-4-17-12(2)14-11-13(16)5-6-15(14)19-9-7-18(3)8-10-19/h5-6,11-12,17H,4,7-10H2,1-3H3.
What are the key properties of 1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine?
1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine has a molecular weight of 326.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82972475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).