2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine

C16H17BrFNO2 — CID 135275298

IUPAC2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(COc1cc(F)ccc1Br)c1ccc(OC)cc1
InChIInChI=1S/C16H17BrFNO2/c1-19-15(11-3-6-13(20-2)7-4-11)10-21-16-9-12(18)5-8-14(16)17/h3-9,15,19H,10H2,1-2H3
InChIKeyLFBZAYQSQLVBTF-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.94
Rot. Bonds6

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

2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 135275298) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID135275298
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(COc1cc(F)ccc1Br)c1ccc(OC)cc1
InChIInChI=1S/C16H17BrFNO2/c1-19-15(11-3-6-13(20-2)7-4-11)10-21-16-9-12(18)5-8-14(16)17/h3-9,15,19H,10H2,1-2H3
InChIKeyLFBZAYQSQLVBTF-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine
CID 102981071
2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine
CID 82004349
2-(2-bromo-4-fluorophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18115468
N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240
2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842981
1-(2-bromo-5-methoxyphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105376965
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450
1-(4-bromo-3-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81296013
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809591
1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 79703735
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine (CID 135275298) is 2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine is CNC(COc1cc(F)ccc1Br)c1ccc(OC)cc1.
What is the InChIKey of 2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is LFBZAYQSQLVBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-19-15(11-3-6-13(20-2)7-4-11)10-21-16-9-12(18)5-8-14(16)17/h3-9,15,19H,10H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine?
2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 354.22 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenoxy)-1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 135275298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).