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

C15H16BrFN2O — CID 105036812

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H16BrFN2O/c1-18-14(6-10-5-12(16)9-19-8-10)11-3-4-13(17)15(7-11)20-2/h3-5,7-9,14,18H,6H2,1-2H3
InChIKeyQHKJGWSAKAEECJ-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.49
Rot. Bonds5

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

2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine (PubChem CID 105036812) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
PubChem CID105036812
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cncc(Br)c1)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H16BrFN2O/c1-18-14(6-10-5-12(16)9-19-8-10)11-3-4-13(17)15(7-11)20-2/h3-5,7-9,14,18H,6H2,1-2H3
InChIKeyQHKJGWSAKAEECJ-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81284038
1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81288682
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 105036711
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888
2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105037879
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105036943
2-(5-bromo-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 105036707
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 105036828
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803662
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823
2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine (CID 105036812) is 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine is CNC(Cc1cncc(Br)c1)c1ccc(F)c(OC)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The InChIKey is QHKJGWSAKAEECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-18-14(6-10-5-12(16)9-19-8-10)11-3-4-13(17)15(7-11)20-2/h3-5,7-9,14,18H,6H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine has a molecular weight of 339.21 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 105036812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).