1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine

C15H16Br2N2O — CID 80639988

IUPAC1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C15H16Br2N2O/c1-9-5-11(6-10(2)18)8-19-15(9)20-14-4-3-12(16)7-13(14)17/h3-5,7-8,10H,6,18H2,1-2H3
InChIKeyZHCQUYGGRFFSCP-UHFFFAOYSA-N
MW400.11 g/mol
LogP4.60
Rot. Bonds4

About 1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine

1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine (PubChem CID 80639988) has the molecular formula C15H16Br2N2O and a molecular weight of 400.11 g/mol. Its IUPAC name is 1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
PubChem CID80639988
Molecular FormulaC15H16Br2N2O
Molecular Weight400.11 g/mol
Exact Mass397.96
IUPAC Name1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C15H16Br2N2O/c1-9-5-11(6-10(2)18)8-19-15(9)20-14-4-3-12(16)7-13(14)17/h3-5,7-8,10H,6,18H2,1-2H3
InChIKeyZHCQUYGGRFFSCP-UHFFFAOYSA-N
XLogP4.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639516
1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine
CID 64713841
1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
CID 80627504
1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80640430
1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 107171083
2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534
2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 104708631
5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
CID 107284943
1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80633834
[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629216
N-[[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637433
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine (CID 80639988) is 1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine is Cc1cc(CC(C)N)cnc1Oc1ccc(Br)cc1Br.
What is the InChIKey of 1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
The InChIKey is ZHCQUYGGRFFSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O/c1-9-5-11(6-10(2)18)8-19-15(9)20-14-4-3-12(16)7-13(14)17/h3-5,7-8,10H,6,18H2,1-2H3.
What are the key properties of 1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine has a molecular weight of 400.11 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80639988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).