2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine

C15H24BrN3 — CID 115230425

IUPAC2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
SMILESCN(CCc1cccc(Br)c1)CCN1CCNCC1
InChIInChI=1S/C15H24BrN3/c1-18(11-12-19-9-6-17-7-10-19)8-5-14-3-2-4-15(16)13-14/h2-4,13,17H,5-12H2,1H3
InChIKeyVZTKLYCWKGHIOY-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.83
Rot. Bonds6

About 2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine

2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine (PubChem CID 115230425) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
PubChem CID115230425
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
SMILESCN(CCc1cccc(Br)c1)CCN1CCNCC1
InChIInChI=1S/C15H24BrN3/c1-18(11-12-19-9-6-17-7-10-19)8-5-14-3-2-4-15(16)13-14/h2-4,13,17H,5-12H2,1H3
InChIKeyVZTKLYCWKGHIOY-UHFFFAOYSA-N
XLogP1.83
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)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

1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
N-methyl-N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylethanamine
CID 54943962
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
2-(3-bromophenyl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230159
N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine
CID 117372136
3-[(3-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980775
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 60691696
4-[2-(3-bromophenyl)ethyl]-1,4-diazepan-5-one
CID 82308154
N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 83230304
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230571
3-(3-bromophenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402089

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine (CID 115230425) is 2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine is CN(CCc1cccc(Br)c1)CCN1CCNCC1.
What is the InChIKey of 2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine?
The InChIKey is VZTKLYCWKGHIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-18(11-12-19-9-6-17-7-10-19)8-5-14-3-2-4-15(16)13-14/h2-4,13,17H,5-12H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine?
2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine has a molecular weight of 326.28 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine is sourced from PubChem (CID 115230425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).