2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine

C14H12Br2FNO — CID 81325869

IUPAC2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12Br2FNO/c15-10-2-1-9(3-4-18)14(7-10)19-13-6-11(16)5-12(17)8-13/h1-2,5-8H,3-4,18H2
InChIKeyLJGBSICUORWMSK-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.64
Rot. Bonds4

About 2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine

2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine (PubChem CID 81325869) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
PubChem CID81325869
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12Br2FNO/c15-10-2-1-9(3-4-18)14(7-10)19-13-6-11(16)5-12(17)8-13/h1-2,5-8H,3-4,18H2
InChIKeyLJGBSICUORWMSK-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-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114863369
2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 81322221
2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
CID 116690763
2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine
CID 81326331
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335
4-(3-bromo-5-fluorophenoxy)-3-fluoroaniline
CID 81321851
2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine
CID 114677126
2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
[3-bromo-5-(5-bromo-2-fluorophenoxy)phenyl]methanamine
CID 102814762

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine (CID 81325869) is 2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine is NCCc1ccc(Br)cc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine?
The InChIKey is LJGBSICUORWMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c15-10-2-1-9(3-4-18)14(7-10)19-13-6-11(16)5-12(17)8-13/h1-2,5-8H,3-4,18H2.
What are the key properties of 2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine?
2-[4-bromo-2-(3-bromo-5-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-(3-bromo-5-fluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 81325869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).