N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine

C11H16BrFN2 — CID 115319274

IUPACN'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)Cc1cccc(F)c1Br
InChIInChI=1S/C11H16BrFN2/c1-15(7-3-6-14)8-9-4-2-5-10(13)11(9)12/h2,4-5H,3,6-8,14H2,1H3
InChIKeyPGMKPWJIXSLINK-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.37
Rot. Bonds5

About N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine

N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 115319274) has the molecular formula C11H16BrFN2 and a molecular weight of 275.16 g/mol. Its IUPAC name is N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID115319274
Molecular FormulaC11H16BrFN2
Molecular Weight275.16 g/mol
Exact Mass274.05
IUPAC NameN'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)Cc1cccc(F)c1Br
InChIInChI=1S/C11H16BrFN2/c1-15(7-3-6-14)8-9-4-2-5-10(13)11(9)12/h2,4-5H,3,6-8,14H2,1H3
InChIKeyPGMKPWJIXSLINK-UHFFFAOYSA-N
XLogP2.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine
CID 61420007
N-[(2-bromo-3-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine
CID 131067793
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
N'-methyl-N'-[(2,4,5-trifluorophenyl)methyl]propane-1,3-diamine
CID 104869635
5-amino-1-(2-bromo-3-fluorophenyl)pentan-2-one
CID 116553362
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
1-bromo-N-[(2-bromo-3-fluorophenyl)methyl]-N-methylpropan-2-amine
CID 104554874
N'-[(2,6-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62682578
2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide
CID 106441224

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine (CID 115319274) is N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine is CN(CCCN)Cc1cccc(F)c1Br.
What is the InChIKey of N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is PGMKPWJIXSLINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2/c1-15(7-3-6-14)8-9-4-2-5-10(13)11(9)12/h2,4-5H,3,6-8,14H2,1H3.
What are the key properties of N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 275.16 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115319274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).