N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine

C12H17BrF3N3O — CID 106795791

IUPACN'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H17BrF3N3O/c1-20-6-5-19(4-2-3-17)11-10(12(14,15)16)7-9(13)8-18-11/h7-8H,2-6,17H2,1H3
InChIKeyAHUIGCASUTVYDZ-UHFFFAOYSA-N
MW356.19 g/mol
LogP2.66
Rot. Bonds7

About N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine

N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 106795791) has the molecular formula C12H17BrF3N3O and a molecular weight of 356.19 g/mol. Its IUPAC name is N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID106795791
Molecular FormulaC12H17BrF3N3O
Molecular Weight356.19 g/mol
Exact Mass355.05
IUPAC NameN'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H17BrF3N3O/c1-20-6-5-19(4-2-3-17)11-10(12(14,15)16)7-9(13)8-18-11/h7-8H,2-6,17H2,1H3
InChIKeyAHUIGCASUTVYDZ-UHFFFAOYSA-N
XLogP2.66
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 66341638
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 106797206
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
CID 106796826
5-bromo-2-N-ethyl-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 61444777
N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63287337
N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 79717838
N'-(2-methoxyethyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
CID 63287741
5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 104918962
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-ethylamino]-2-methylpropanethioamide
CID 106795812
N'-(2-methoxyethyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 63287295
5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine
CID 54986753
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile
CID 106795797

Frequently Asked Questions

What is the IUPAC name of N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine (CID 106795791) is N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine is COCCN(CCCN)c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is AHUIGCASUTVYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrF3N3O/c1-20-6-5-19(4-2-3-17)11-10(12(14,15)16)7-9(13)8-18-11/h7-8H,2-6,17H2,1H3.
What are the key properties of N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 356.19 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 106795791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).