N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine

C11H16BrFN2 — CID 43374438

IUPACN'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2/c1-14-5-6-15(2)8-9-7-10(12)3-4-11(9)13/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyYHBMDAIOFHTQCK-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.24
Rot. Bonds5

About N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine

N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 43374438) has the molecular formula C11H16BrFN2 and a molecular weight of 275.16 g/mol. Its IUPAC name is N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID43374438
Molecular FormulaC11H16BrFN2
Molecular Weight275.16 g/mol
Exact Mass274.05
IUPAC NameN'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2/c1-14-5-6-15(2)8-9-7-10(12)3-4-11(9)13/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyYHBMDAIOFHTQCK-UHFFFAOYSA-N
XLogP2.24
TPSA15.27 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202214
N'-[(5-bromo-2-fluorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 115204975
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 115155762
N-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252866
4-[(5-bromo-2-fluorophenyl)methyl-methylamino]butanenitrile
CID 115231860
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 115196046
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 115005644
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 107972041
2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine
CID 115259643

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 43374438) is N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cc(Br)ccc1F.
What is the InChIKey of N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is YHBMDAIOFHTQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2/c1-14-5-6-15(2)8-9-7-10(12)3-4-11(9)13/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 275.16 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43374438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).