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

C15H23BrFN3 — CID 79658598

IUPAC2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Br)c1)C1CN(C)CCN1C
InChIInChI=1S/C15H23BrFN3/c1-18-14(15-10-19(2)6-7-20(15)3)9-11-4-5-13(17)12(16)8-11/h4-5,8,14-15,18H,6-7,9-10H2,1-3H3
InChIKeyPGTHUZDIULOMTH-UHFFFAOYSA-N
MW344.27 g/mol
LogP1.96
Rot. Bonds4

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

2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (PubChem CID 79658598) has the molecular formula C15H23BrFN3 and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
PubChem CID79658598
Molecular FormulaC15H23BrFN3
Molecular Weight344.27 g/mol
Exact Mass343.11
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Br)c1)C1CN(C)CCN1C
InChIInChI=1S/C15H23BrFN3/c1-18-14(15-10-19(2)6-7-20(15)3)9-11-4-5-13(17)12(16)8-11/h4-5,8,14-15,18H,6-7,9-10H2,1-3H3
InChIKeyPGTHUZDIULOMTH-UHFFFAOYSA-N
XLogP1.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79664162
2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79659510
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687
2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034
2-(3,5-difluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-methylethanamine
CID 105406851
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine
CID 115818368
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424348
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65390837
2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658770
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658445
2-(3-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107188023

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine (CID 79658598) is 2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is CNC(Cc1ccc(F)c(Br)c1)C1CN(C)CCN1C.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
The InChIKey is PGTHUZDIULOMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN3/c1-18-14(15-10-19(2)6-7-20(15)3)9-11-4-5-13(17)12(16)8-11/h4-5,8,14-15,18H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine?
2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine has a molecular weight of 344.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine is sourced from PubChem (CID 79658598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).