2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine

C16H17BrFNO — CID 62608660

IUPAC2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1ccccc1OC
InChIInChI=1S/C16H17BrFNO/c1-19-15(13-5-3-4-6-16(13)20-2)9-11-7-8-12(18)10-14(11)17/h3-8,10,15,19H,9H2,1-2H3
InChIKeyRJZUNKJVBVAXQF-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.10
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine

2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine (PubChem CID 62608660) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
PubChem CID62608660
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1ccccc1OC
InChIInChI=1S/C16H17BrFNO/c1-19-15(13-5-3-4-6-16(13)20-2)9-11-7-8-12(18)10-14(11)17/h3-8,10,15,19H,9H2,1-2H3
InChIKeyRJZUNKJVBVAXQF-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

1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842981
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 114894718
1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105373786
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 115843072
2-(2-bromo-4-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylethanamine
CID 106691781
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81386984
2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374283
1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115793404
2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 115786880
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 105398790

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine (CID 62608660) is 2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1Br)c1ccccc1OC.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine?
The InChIKey is RJZUNKJVBVAXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-19-15(13-5-3-4-6-16(13)20-2)9-11-7-8-12(18)10-14(11)17/h3-8,10,15,19H,9H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine?
2-(2-bromo-4-fluorophenyl)-1-(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-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 62608660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).