N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine

C13H20BrN3 — CID 115238694

IUPACN-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
SMILESCN1CCNC(CNCc2ccccc2Br)C1
InChIInChI=1S/C13H20BrN3/c1-17-7-6-16-12(10-17)9-15-8-11-4-2-3-5-13(11)14/h2-5,12,15-16H,6-10H2,1H3
InChIKeyLBEBDGLKAAQZMV-UHFFFAOYSA-N
MW298.23 g/mol
LogP1.44
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine

N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine (PubChem CID 115238694) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
PubChem CID115238694
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC NameN-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
SMILESCN1CCNC(CNCc2ccccc2Br)C1
InChIInChI=1S/C13H20BrN3/c1-17-7-6-16-12(10-17)9-15-8-11-4-2-3-5-13(11)14/h2-5,12,15-16H,6-10H2,1H3
InChIKeyLBEBDGLKAAQZMV-UHFFFAOYSA-N
XLogP1.44
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine 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

N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238651
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238664
2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238770
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238653
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451692
3-[[5-(2-bromophenyl)-1H-imidazol-2-yl]methyl]-1-methylpiperazine
CID 116881233
3-[(2-bromophenyl)methyl]-1-methylsulfonylpiperazine
CID 84609624
2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide
CID 84606787
(3S)-1-[(2-bromophenyl)methyl]-3-methylpiperazine
CID 95243882

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine (CID 115238694) is N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine is CN1CCNC(CNCc2ccccc2Br)C1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine?
The InChIKey is LBEBDGLKAAQZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-17-7-6-16-12(10-17)9-15-8-11-4-2-3-5-13(11)14/h2-5,12,15-16H,6-10H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine?
N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine has a molecular weight of 298.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 115238694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).