2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine

C14H12Br2FNO — CID 63816804

IUPAC2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1Oc1ccc(F)cc1Br
InChIInChI=1S/C14H12Br2FNO/c15-10-2-1-9(5-6-18)14(7-10)19-13-4-3-11(17)8-12(13)16/h1-4,7-8H,5-6,18H2
InChIKeyAYIFRHNHJFQJAK-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.64
Rot. Bonds4

About 2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine

2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine (PubChem CID 63816804) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
PubChem CID63816804
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1Oc1ccc(F)cc1Br
InChIInChI=1S/C14H12Br2FNO/c15-10-2-1-9(5-6-18)14(7-10)19-13-4-3-11(17)8-12(13)16/h1-4,7-8H,5-6,18H2
InChIKeyAYIFRHNHJFQJAK-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
CID 65342586
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
CID 116690763
2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
CID 63815572
2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene
CID 114061645
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
CID 114863000
1-[5-bromo-2-(bromomethyl)phenoxy]-2,4-difluorobenzene
CID 107086532
2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402942
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816477
2-[4-(2-bromo-4-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 81166401

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine (CID 63816804) is 2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine is NCCc1ccc(Br)cc1Oc1ccc(F)cc1Br.
What is the InChIKey of 2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine?
The InChIKey is AYIFRHNHJFQJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c15-10-2-1-9(5-6-18)14(7-10)19-13-4-3-11(17)8-12(13)16/h1-4,7-8H,5-6,18H2.
What are the key properties of 2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine?
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine has a molecular weight of 389.06 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63816804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).