2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine

C16H17BrFNO — CID 43485689

IUPAC2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cc(F)ccc1OC
InChIInChI=1S/C16H17BrFNO/c1-19-15(9-11-3-5-12(17)6-4-11)14-10-13(18)7-8-16(14)20-2/h3-8,10,15,19H,9H2,1-2H3
InChIKeyCKXLXUGPCJMCAD-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.10
Rot. Bonds5

About 2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine

2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine (PubChem CID 43485689) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
PubChem CID43485689
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cc(F)ccc1OC
InChIInChI=1S/C16H17BrFNO/c1-19-15(9-11-3-5-12(17)6-4-11)14-10-13(18)7-8-16(14)20-2/h3-8,10,15,19H,9H2,1-2H3
InChIKeyCKXLXUGPCJMCAD-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105195600
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43492237
2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 62551268
1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 115369427
2-(3-bromo-4-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 63673603
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 62605096
1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485696
2-(3-bromo-5-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105015525
1-(4-bromo-2-methoxyphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412591
2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81284038

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine (CID 43485689) is 2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1)c1cc(F)ccc1OC.
What is the InChIKey of 2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine?
The InChIKey is CKXLXUGPCJMCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-19-15(9-11-3-5-12(17)6-4-11)14-10-13(18)7-8-16(14)20-2/h3-8,10,15,19H,9H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine?
2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 43485689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).