2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine

C16H17BrFNO — CID 81284038

IUPAC2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1ccc(F)c(OC)c1
InChIInChI=1S/C16H17BrFNO/c1-19-15(9-11-3-6-13(17)7-4-11)12-5-8-14(18)16(10-12)20-2/h3-8,10,15,19H,9H2,1-2H3
InChIKeyIFQNUDXVTDIUFS-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.10
Rot. Bonds5

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

2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine (PubChem CID 81284038) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
PubChem CID81284038
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1ccc(F)c(OC)c1
InChIInChI=1S/C16H17BrFNO/c1-19-15(9-11-3-6-13(17)7-4-11)12-5-8-14(18)16(10-12)20-2/h3-8,10,15,19H,9H2,1-2H3
InChIKeyIFQNUDXVTDIUFS-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-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81288682
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61065671
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105036812
1-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 43479969
2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105037879
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 43479903
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
2-(4-bromophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799436
2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 43485689

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine (CID 81284038) is 2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1)c1ccc(F)c(OC)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The InChIKey is IFQNUDXVTDIUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-19-15(9-11-3-6-13(17)7-4-11)12-5-8-14(18)16(10-12)20-2/h3-8,10,15,19H,9H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
2-(4-bromophenyl)-1-(4-fluoro-3-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-(4-fluoro-3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 81284038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).