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

C13H19BrFN3 — CID 43364591

IUPAC2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C13H19BrFN3/c1-17-4-6-18(7-5-17)13(9-16)11-3-2-10(14)8-12(11)15/h2-3,8,13H,4-7,9,16H2,1H3
InChIKeyJKVPBDWJYRVNLO-UHFFFAOYSA-N
MW316.22 g/mol
LogP1.84
Rot. Bonds3

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

2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 43364591) has the molecular formula C13H19BrFN3 and a molecular weight of 316.22 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID43364591
Molecular FormulaC13H19BrFN3
Molecular Weight316.22 g/mol
Exact Mass315.07
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C13H19BrFN3/c1-17-4-6-18(7-5-17)13(9-16)11-3-2-10(14)8-12(11)15/h2-3,8,13H,4-7,9,16H2,1H3
InChIKeyJKVPBDWJYRVNLO-UHFFFAOYSA-N
XLogP1.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 43364603
2-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531943
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134
2-(4-bromo-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)ethanamine
CID 43173934
2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62123532
2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
CID 55157458
1-[(1S)-1-(4-bromo-2-fluorophenyl)-3-fluoropropyl]piperazine
CID 171163112
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
2-(4-bromo-2-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052540
2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624974
2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride
CID 46736564

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 43364591) is 2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine is CN1CCN(C(CN)c2ccc(Br)cc2F)CC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is JKVPBDWJYRVNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN3/c1-17-4-6-18(7-5-17)13(9-16)11-3-2-10(14)8-12(11)15/h2-3,8,13H,4-7,9,16H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
2-(4-bromo-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 316.22 g/mol, XLogP of 1.84, 3 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-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 43364591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).