2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine

C15H24BrN3 — CID 79659510

IUPAC2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)C1CN(C)CCN1C
InChIInChI=1S/C15H24BrN3/c1-17-14(10-12-5-4-6-13(16)9-12)15-11-18(2)7-8-19(15)3/h4-6,9,14-15,17H,7-8,10-11H2,1-3H3
InChIKeyKORQZVHNCILMRJ-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.83
Rot. Bonds4

About 2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine

2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (PubChem CID 79659510) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
PubChem CID79659510
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)C1CN(C)CCN1C
InChIInChI=1S/C15H24BrN3/c1-17-14(10-12-5-4-6-13(16)9-12)15-11-18(2)7-8-19(15)3/h4-6,9,14-15,17H,7-8,10-11H2,1-3H3
InChIKeyKORQZVHNCILMRJ-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247302
2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658598
2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79664162
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 79658844
1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414918
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909
2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 105406851
2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093554
2-(3-chloro-4-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658432
2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79664163
2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63414740
2-(2-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 115983959

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (CID 79659510) is 2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is CNC(Cc1cccc(Br)c1)C1CN(C)CCN1C.
What is the InChIKey of 2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The InChIKey is KORQZVHNCILMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-17-14(10-12-5-4-6-13(16)9-12)15-11-18(2)7-8-19(15)3/h4-6,9,14-15,17H,7-8,10-11H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine has a molecular weight of 326.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is sourced from PubChem (CID 79659510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).