1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine

C13H20BrFN2 — CID 79743384

IUPAC1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
SMILESCNC(c1cc(Br)ccc1F)C(C)(C)N(C)C
InChIInChI=1S/C13H20BrFN2/c1-13(2,17(4)5)12(16-3)10-8-9(14)6-7-11(10)15/h6-8,12,16H,1-5H3
InChIKeyKTYMIBNLVZSHNU-UHFFFAOYSA-N
MW303.22 g/mol
LogP3.19
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine

1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine (PubChem CID 79743384) has the molecular formula C13H20BrFN2 and a molecular weight of 303.22 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
PubChem CID79743384
Molecular FormulaC13H20BrFN2
Molecular Weight303.22 g/mol
Exact Mass302.08
IUPAC Name1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
SMILESCNC(c1cc(Br)ccc1F)C(C)(C)N(C)C
InChIInChI=1S/C13H20BrFN2/c1-13(2,17(4)5)12(16-3)10-8-9(14)6-7-11(10)15/h6-8,12,16H,1-5H3
InChIKeyKTYMIBNLVZSHNU-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79053713
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79739404
4-(5-bromo-2-fluorophenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953568
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79739109
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
(2S)-2-(5-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 51675216
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 82964931
1-(5-bromo-2-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79047998
[1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine
CID 105265536
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483186

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine (CID 79743384) is 1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine is CNC(c1cc(Br)ccc1F)C(C)(C)N(C)C.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
The InChIKey is KTYMIBNLVZSHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2/c1-13(2,17(4)5)12(16-3)10-8-9(14)6-7-11(10)15/h6-8,12,16H,1-5H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine?
1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine has a molecular weight of 303.22 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine is sourced from PubChem (CID 79743384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).