1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine

C14H12BrF2NO — CID 81331401

IUPAC1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
SMILESCC(N)c1cc(F)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrF2NO/c1-8(18)13-7-10(16)2-3-14(13)19-12-5-9(15)4-11(17)6-12/h2-8H,18H2,1H3
InChIKeyAJZDJSKEHADRGN-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.54
Rot. Bonds3

About 1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine

1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine (PubChem CID 81331401) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
PubChem CID81331401
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
SMILESCC(N)c1cc(F)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrF2NO/c1-8(18)13-7-10(16)2-3-14(13)19-12-5-9(15)4-11(17)6-12/h2-8H,18H2,1H3
InChIKeyAJZDJSKEHADRGN-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046
(1S)-1-[2-(4-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 28971365
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 104940716
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789
1-[5-fluoro-2-(4-nitrophenoxy)phenyl]ethanamine
CID 61031257
[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol
CID 55182628
3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229682
3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-N,N-dimethylaniline
CID 78938251
(1R)-1-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003340
1-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]propan-2-amine
CID 81326022
(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine
CID 78938414
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine (CID 81331401) is 1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine is CC(N)c1cc(F)ccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine?
The InChIKey is AJZDJSKEHADRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-8(18)13-7-10(16)2-3-14(13)19-12-5-9(15)4-11(17)6-12/h2-8H,18H2,1H3.
What are the key properties of 1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine?
1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine has a molecular weight of 328.16 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 81331401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).