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

C15H16Br2N2O — CID 105036711

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)c1ccc(Br)cc1OC
InChIInChI=1S/C15H16Br2N2O/c1-18-14(6-10-5-12(17)9-19-8-10)13-4-3-11(16)7-15(13)20-2/h3-5,7-9,14,18H,6H2,1-2H3
InChIKeyPBBZZLSKQBQBOA-UHFFFAOYSA-N
MW400.11 g/mol
LogP4.12
Rot. Bonds5

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

1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine (PubChem CID 105036711) has the molecular formula C15H16Br2N2O and a molecular weight of 400.11 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
PubChem CID105036711
Molecular FormulaC15H16Br2N2O
Molecular Weight400.11 g/mol
Exact Mass397.96
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)c1ccc(Br)cc1OC
InChIInChI=1S/C15H16Br2N2O/c1-18-14(6-10-5-12(17)9-19-8-10)13-4-3-11(16)7-15(13)20-2/h3-5,7-9,14,18H,6H2,1-2H3
InChIKeyPBBZZLSKQBQBOA-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946725
2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 105036707
1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 115369427
1-(4-bromo-2-methoxyphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412591
1-(4-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115369429
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105036812
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830255
1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990055
2-(5-bromo-3-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 105036789
1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 115369494
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115818264
2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine (CID 105036711) is 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine is CNC(Cc1cncc(Br)c1)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine?
The InChIKey is PBBZZLSKQBQBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O/c1-18-14(6-10-5-12(17)9-19-8-10)13-4-3-11(16)7-15(13)20-2/h3-5,7-9,14,18H,6H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine?
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine has a molecular weight of 400.11 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105036711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).