1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine

C16H26BrN3 — CID 62911018

IUPAC1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
SMILESCC(C)CN1CCN(c2ccc(C(C)N)cc2Br)CC1
InChIInChI=1S/C16H26BrN3/c1-12(2)11-19-6-8-20(9-7-19)16-5-4-14(13(3)18)10-15(16)17/h4-5,10,12-13H,6-9,11,18H2,1-3H3
InChIKeyIPRWSEAJVMKNCY-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.25
Rot. Bonds4

About 1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine

1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine (PubChem CID 62911018) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
PubChem CID62911018
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
SMILESCC(C)CN1CCN(c2ccc(C(C)N)cc2Br)CC1
InChIInChI=1S/C16H26BrN3/c1-12(2)11-19-6-8-20(9-7-19)16-5-4-14(13(3)18)10-15(16)17/h4-5,10,12-13H,6-9,11,18H2,1-3H3
InChIKeyIPRWSEAJVMKNCY-UHFFFAOYSA-N
XLogP3.25
TPSA32.50 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]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

(1S)-1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940984
(1S)-1-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 78935877
(1R)-1-[3-bromo-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanamine
CID 78930470
1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
CID 62908814
1-[4-[4-(1-aminoethyl)-2-bromophenyl]piperazin-1-yl]ethanone
CID 62907807
(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935793
1-[3-bromo-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 114410367
(1S)-1-[3-bromo-4-(4-propylazepan-1-yl)phenyl]ethanamine
CID 78992773
1-[3-bromo-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62973068
(1S)-1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63624095
(1R)-1-[3-bromo-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 104921334
(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
CID 63368809

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine?
The IUPAC name of 1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine (CID 62911018) is 1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine.
What is the SMILES notation for 1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine?
The canonical SMILES for 1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine is CC(C)CN1CCN(c2ccc(C(C)N)cc2Br)CC1.
What is the InChIKey of 1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine?
The InChIKey is IPRWSEAJVMKNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-12(2)11-19-6-8-20(9-7-19)16-5-4-14(13(3)18)10-15(16)17/h4-5,10,12-13H,6-9,11,18H2,1-3H3.
What are the key properties of 1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine?
1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine has a molecular weight of 340.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 62911018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).