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

C16H16BrF2NO — CID 115842981

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H16BrF2NO/c1-20-15(8-10-3-5-12(18)9-13(10)17)11-4-6-16(21-2)14(19)7-11/h3-7,9,15,20H,8H2,1-2H3
InChIKeyKAVRSHKLSBIOCO-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.24
Rot. Bonds5

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

2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 115842981) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID115842981
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H16BrF2NO/c1-20-15(8-10-3-5-12(18)9-13(10)17)11-4-6-16(21-2)14(19)7-11/h3-7,9,15,20H,8H2,1-2H3
InChIKeyKAVRSHKLSBIOCO-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
CID 62608660
2-(2-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115843230
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843251
2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343
2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81288701
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809591
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374283
2-(2-bromo-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115843109
1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43479915
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842301

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 115842981) is 2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1Br)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is KAVRSHKLSBIOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-20-15(8-10-3-5-12(18)9-13(10)17)11-4-6-16(21-2)14(19)7-11/h3-7,9,15,20H,8H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 356.21 g/mol, XLogP of 4.24, 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-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115842981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).