2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine

C15H23BrFN3 — CID 43364603

IUPAC2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine
SMILESCCCN1CCN(C(CN)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H23BrFN3/c1-2-5-19-6-8-20(9-7-19)15(11-18)13-4-3-12(16)10-14(13)17/h3-4,10,15H,2,5-9,11,18H2,1H3
InChIKeyIKNKDUKBWKWWIJ-UHFFFAOYSA-N
MW344.27 g/mol
LogP2.62
Rot. Bonds5

About 2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine

2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine (PubChem CID 43364603) has the molecular formula C15H23BrFN3 and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine
PubChem CID43364603
Molecular FormulaC15H23BrFN3
Molecular Weight344.27 g/mol
Exact Mass343.11
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine
SMILESCCCN1CCN(C(CN)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H23BrFN3/c1-2-5-19-6-8-20(9-7-19)15(11-18)13-4-3-12(16)10-14(13)17/h3-4,10,15H,2,5-9,11,18H2,1H3
InChIKeyIKNKDUKBWKWWIJ-UHFFFAOYSA-N
XLogP2.62
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine (CID 43364603) is 2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine is CCCN1CCN(C(CN)c2ccc(Br)cc2F)CC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine?
The InChIKey is IKNKDUKBWKWWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN3/c1-2-5-19-6-8-20(9-7-19)15(11-18)13-4-3-12(16)10-14(13)17/h3-4,10,15H,2,5-9,11,18H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine?
2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine has a molecular weight of 344.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 43364603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).