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

C16H17BrFNO — CID 115369427

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)c1ccc(Br)cc1OC
InChIInChI=1S/C16H17BrFNO/c1-19-15(9-11-3-6-13(18)7-4-11)14-8-5-12(17)10-16(14)20-2/h3-8,10,15,19H,9H2,1-2H3
InChIKeyWRHQCUSKORPSHU-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.10
Rot. Bonds5

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

1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine (PubChem CID 115369427) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
PubChem CID115369427
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)c1ccc(Br)cc1OC
InChIInChI=1S/C16H17BrFNO/c1-19-15(9-11-3-6-13(18)7-4-11)14-8-5-12(17)10-16(14)20-2/h3-8,10,15,19H,9H2,1-2H3
InChIKeyWRHQCUSKORPSHU-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-(4-bromo-2-methoxyphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412591
1-(4-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115369429
2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 43485689
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 105036711
1-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115830032
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115818264
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830255
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792000
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine (CID 115369427) is 1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is WRHQCUSKORPSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-19-15(9-11-3-6-13(18)7-4-11)14-8-5-12(17)10-16(14)20-2/h3-8,10,15,19H,9H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine?
1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-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 1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 115369427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).