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

C13H20BrN3 — CID 115238651

IUPACN-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
SMILESCN1CCNC(CNCc2ccc(Br)cc2)C1
InChIInChI=1S/C13H20BrN3/c1-17-7-6-16-13(10-17)9-15-8-11-2-4-12(14)5-3-11/h2-5,13,15-16H,6-10H2,1H3
InChIKeyLSYQETRKZQAXFC-UHFFFAOYSA-N
MW298.23 g/mol
LogP1.44
Rot. Bonds4

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

N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine (PubChem CID 115238651) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
PubChem CID115238651
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC NameN-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
SMILESCN1CCNC(CNCc2ccc(Br)cc2)C1
InChIInChI=1S/C13H20BrN3/c1-17-7-6-16-13(10-17)9-15-8-11-2-4-12(14)5-3-11/h2-5,13,15-16H,6-10H2,1H3
InChIKeyLSYQETRKZQAXFC-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

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Related Compounds

2-(4-bromophenyl)-N-[(4-methylpiperazin-2-yl)methyl]acetamide
CID 84606787
N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238694
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238653
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238664
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
CID 116928127
N-[(4-bromothiophen-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239419
N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine (CID 115238651) is N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine is CN1CCNC(CNCc2ccc(Br)cc2)C1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine?
The InChIKey is LSYQETRKZQAXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-17-7-6-16-13(10-17)9-15-8-11-2-4-12(14)5-3-11/h2-5,13,15-16H,6-10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine?
N-[(4-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-[(4-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 115238651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).