N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine

C11H16Br2N2 — CID 114369384

IUPACN'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1cc(Br)ccc1Br
InChIInChI=1S/C11H16Br2N2/c1-14-5-2-6-15-8-9-7-10(12)3-4-11(9)13/h3-4,7,14-15H,2,5-6,8H2,1H3
InChIKeyCXBOGPSOEUQLSP-UHFFFAOYSA-N
MW336.07 g/mol
LogP2.91
Rot. Bonds6

About N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine

N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine (PubChem CID 114369384) has the molecular formula C11H16Br2N2 and a molecular weight of 336.07 g/mol. Its IUPAC name is N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine
PubChem CID114369384
Molecular FormulaC11H16Br2N2
Molecular Weight336.07 g/mol
Exact Mass333.97
IUPAC NameN'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1cc(Br)ccc1Br
InChIInChI=1S/C11H16Br2N2/c1-14-5-2-6-15-8-9-7-10(12)3-4-11(9)13/h3-4,7,14-15H,2,5-6,8H2,1H3
InChIKeyCXBOGPSOEUQLSP-UHFFFAOYSA-N
XLogP2.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.07
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(5-bromo-2-methylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202149
N'-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17295184
3-[(5-bromo-2-methylphenyl)methylamino]propane-1-thiol
CID 115224928
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720637
N'-[(2-chloro-4-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 106861235
N'-[(3-bromophenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201979
4-(2,5-dibromophenyl)-N-propylbutan-1-amine
CID 65305623
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-1-amine
CID 113287438
5-(2,5-dibromophenyl)-N-propylpentan-1-amine
CID 65300495
N-[(2-bromo-5-methoxyphenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 113410367
N'-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 17056478
N-[(2-bromo-5-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 65324170

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine (CID 114369384) is N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine is CNCCCNCc1cc(Br)ccc1Br.
What is the InChIKey of N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine?
The InChIKey is CXBOGPSOEUQLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2/c1-14-5-2-6-15-8-9-7-10(12)3-4-11(9)13/h3-4,7,14-15H,2,5-6,8H2,1H3.
What are the key properties of N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine?
N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine has a molecular weight of 336.07 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dibromophenyl)methyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 114369384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).