2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine

C14H12BrF2NO — CID 114671834

IUPAC2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine
SMILESNCC(Oc1cc(Br)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C14H12BrF2NO/c15-10-3-6-12(17)13(7-10)19-14(8-18)9-1-4-11(16)5-2-9/h1-7,14H,8,18H2
InChIKeyWJDYINRRZMCWJN-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.81
Rot. Bonds4

About 2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine

2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine (PubChem CID 114671834) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine
PubChem CID114671834
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine
SMILESNCC(Oc1cc(Br)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C14H12BrF2NO/c15-10-3-6-12(17)13(7-10)19-14(8-18)9-1-4-11(16)5-2-9/h1-7,14H,8,18H2
InChIKeyWJDYINRRZMCWJN-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-2-pyridin-3-ylethanamine
CID 114671799
2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine
CID 63269156
2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine
CID 55191488
2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine
CID 116688749
2-(2,5-difluorophenoxy)-2-thiophen-3-ylethanamine
CID 63268980
2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine
CID 63647284
2-(2-fluoro-5-methylphenoxy)-2-phenylethanamine
CID 64854414
2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 55017955
2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 107656314
2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 83133763
2-(4-bromophenoxy)-2-(4-bromophenyl)ethanamine
CID 55016034
2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine
CID 115401662

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine (CID 114671834) is 2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine is NCC(Oc1cc(Br)ccc1F)c1ccc(F)cc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine?
The InChIKey is WJDYINRRZMCWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-10-3-6-12(17)13(7-10)19-14(8-18)9-1-4-11(16)5-2-9/h1-7,14H,8,18H2.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine?
2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine has a molecular weight of 328.16 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 114671834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).