2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine

C14H12Br2FNO — CID 55017955

IUPAC2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine
SMILESNCC(Oc1ccc(F)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H12Br2FNO/c15-10-3-1-2-9(6-10)14(8-18)19-13-5-4-11(17)7-12(13)16/h1-7,14H,8,18H2
InChIKeyRGXQKGLUOCVWFX-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.43
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine

2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine (PubChem CID 55017955) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine
PubChem CID55017955
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine
SMILESNCC(Oc1ccc(F)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H12Br2FNO/c15-10-3-1-2-9(6-10)14(8-18)19-13-5-4-11(17)7-12(13)16/h1-7,14H,8,18H2
InChIKeyRGXQKGLUOCVWFX-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 55020254
2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine
CID 115401662
2-(3-bromophenyl)-2-(2,4-dichlorophenoxy)ethanamine
CID 55193005
2-(4-bromo-3-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 65203686
2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
CID 55020468
2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine
CID 114671834
2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351
2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine
CID 55194152
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
CID 55095103
2-(4-ethyl-2-methoxyphenoxy)-2-(3-fluorophenyl)ethanamine
CID 107663995
2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107656247
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]ethanamine
CID 82828633

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine (CID 55017955) is 2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine is NCC(Oc1ccc(F)cc1Br)c1cccc(Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine?
The InChIKey is RGXQKGLUOCVWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c15-10-3-1-2-9(6-10)14(8-18)19-13-5-4-11(17)7-12(13)16/h1-7,14H,8,18H2.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine?
2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine has a molecular weight of 389.06 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine is sourced from PubChem (CID 55017955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).