1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine

C16H26BrN3 — CID 82968937

IUPAC1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
SMILESCCC1CN(c2ccc(Br)cc2C(C)NC)CCN1C
InChIInChI=1S/C16H26BrN3/c1-5-14-11-20(9-8-19(14)4)16-7-6-13(17)10-15(16)12(2)18-3/h6-7,10,12,14,18H,5,8-9,11H2,1-4H3
InChIKeyRJKFCBIECLMMJY-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.26
Rot. Bonds4

About 1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine

1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine (PubChem CID 82968937) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
PubChem CID82968937
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
SMILESCCC1CN(c2ccc(Br)cc2C(C)NC)CCN1C
InChIInChI=1S/C16H26BrN3/c1-5-14-11-20(9-8-19(14)4)16-7-6-13(17)10-15(16)12(2)18-3/h6-7,10,12,14,18H,5,8-9,11H2,1-4H3
InChIKeyRJKFCBIECLMMJY-UHFFFAOYSA-N
XLogP3.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-ethyl-4-methylpiperazin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79603649
1-[4-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]ethanamine
CID 82968869
4-(4-bromo-2-nitrophenyl)-2-ethyl-1-methylpiperazine
CID 63603728
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromophenyl]-N-methylethanamine
CID 82955447
[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 82972414
1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine
CID 82968673
5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)benzenecarboximidamide
CID 114893045
1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 82972475
N-[1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 82956373
2-[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]oxyethanol
CID 82955668
4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorobenzonitrile
CID 55215644
4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperazin-2-one
CID 82971865

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine (CID 82968937) is 1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine is CCC1CN(c2ccc(Br)cc2C(C)NC)CCN1C.
What is the InChIKey of 1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine?
The InChIKey is RJKFCBIECLMMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-5-14-11-20(9-8-19(14)4)16-7-6-13(17)10-15(16)12(2)18-3/h6-7,10,12,14,18H,5,8-9,11H2,1-4H3.
What are the key properties of 1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine?
1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine has a molecular weight of 340.31 g/mol, XLogP of 3.26, 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-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82968937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).