1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine

C11H15BrF3N3O — CID 106797206

IUPAC1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine
SMILESCOCC(N)CN(C)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H15BrF3N3O/c1-18(5-8(16)6-19-2)10-9(11(13,14)15)3-7(12)4-17-10/h3-4,8H,5-6,16H2,1-2H3
InChIKeyNQPLRUUPXVPYAR-UHFFFAOYSA-N
MW342.16 g/mol
LogP2.27
Rot. Bonds5

About 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine

1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine (PubChem CID 106797206) has the molecular formula C11H15BrF3N3O and a molecular weight of 342.16 g/mol. Its IUPAC name is 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine
PubChem CID106797206
Molecular FormulaC11H15BrF3N3O
Molecular Weight342.16 g/mol
Exact Mass341.04
IUPAC Name1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine
SMILESCOCC(N)CN(C)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H15BrF3N3O/c1-18(5-8(16)6-19-2)10-9(11(13,14)15)3-7(12)4-17-10/h3-4,8H,5-6,16H2,1-2H3
InChIKeyNQPLRUUPXVPYAR-UHFFFAOYSA-N
XLogP2.27
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine with MolForge

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Related Compounds

N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine
CID 106795791
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile
CID 106795797
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 106796746
5-bromo-3-chloro-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
CID 103584084
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]butanethioamide
CID 106795818
5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
CID 134128575
1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63761007
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
CID 106796826
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-ethylamino]-2-methylpropanethioamide
CID 106795812
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796664
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 104734234
3-methoxy-1-N-methyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 114450387

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine (CID 106797206) is 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine is COCC(N)CN(C)c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine?
The InChIKey is NQPLRUUPXVPYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3N3O/c1-18(5-8(16)6-19-2)10-9(11(13,14)15)3-7(12)4-17-10/h3-4,8H,5-6,16H2,1-2H3.
What are the key properties of 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine?
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine has a molecular weight of 342.16 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 106797206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).