N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine

C15H24BrFN2 — CID 115255197

IUPACN-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CNC)CN(C)CCc1cc(Br)ccc1F
InChIInChI=1S/C15H24BrFN2/c1-4-12(10-18-2)11-19(3)8-7-13-9-14(16)5-6-15(13)17/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3
InChIKeyIRMNCENUKJFZEH-UHFFFAOYSA-N
MW331.27 g/mol
LogP3.31
Rot. Bonds8

About N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine

N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine (PubChem CID 115255197) has the molecular formula C15H24BrFN2 and a molecular weight of 331.27 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
PubChem CID115255197
Molecular FormulaC15H24BrFN2
Molecular Weight331.27 g/mol
Exact Mass330.11
IUPAC NameN-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CNC)CN(C)CCc1cc(Br)ccc1F
InChIInChI=1S/C15H24BrFN2/c1-4-12(10-18-2)11-19(3)8-7-13-9-14(16)5-6-15(13)17/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3
InChIKeyIRMNCENUKJFZEH-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine
CID 115259643
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202214
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255077
2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250941
2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133025
N-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252866
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 115005644
2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 115255184
2-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]acetaldehyde
CID 115223440
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374438
3-N-[2-(5-bromo-2-fluorophenyl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135034
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135545

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine (CID 115255197) is N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine is CCC(CNC)CN(C)CCc1cc(Br)ccc1F.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is IRMNCENUKJFZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrFN2/c1-4-12(10-18-2)11-19(3)8-7-13-9-14(16)5-6-15(13)17/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine?
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 331.27 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115255197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).