2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine

C14H13Br3N2 — CID 107946725

IUPAC2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H13Br3N2/c1-18-14(5-9-4-11(16)8-19-7-9)12-3-2-10(15)6-13(12)17/h2-4,6-8,14,18H,5H2,1H3
InChIKeyRLBCHWAQDQPCII-UHFFFAOYSA-N
MW448.98 g/mol
LogP4.87
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine

2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine (PubChem CID 107946725) has the molecular formula C14H13Br3N2 and a molecular weight of 448.98 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
PubChem CID107946725
Molecular FormulaC14H13Br3N2
Molecular Weight448.98 g/mol
Exact Mass445.86
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H13Br3N2/c1-18-14(5-9-4-11(16)8-19-7-9)12-3-2-10(15)6-13(12)17/h2-4,6-8,14,18H,5H2,1H3
InChIKeyRLBCHWAQDQPCII-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.98
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 105036711
1-(2,4-dibromophenyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 107945186
2-(5-bromo-3-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 105036789
1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114019360
2-(5-bromo-3-pyridinyl)-1-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105036553
2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 105036707
1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 107945130
2-(5-bromo-3-pyridinyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104803789
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105036943
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 113454942
2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 114019256
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine (CID 107946725) is 2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine is CNC(Cc1cncc(Br)c1)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine?
The InChIKey is RLBCHWAQDQPCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br3N2/c1-18-14(5-9-4-11(16)8-19-7-9)12-3-2-10(15)6-13(12)17/h2-4,6-8,14,18H,5H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine?
2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine has a molecular weight of 448.98 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine is sourced from PubChem (CID 107946725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).