2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine

C15H13Br3FNO — CID 107739499

IUPAC2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Br)c(OCc2cc(Br)ccc2F)c(Br)c1
InChIInChI=1S/C15H13Br3FNO/c16-11-1-2-14(19)10(7-11)8-21-15-12(17)5-9(3-4-20)6-13(15)18/h1-2,5-7H,3-4,8,20H2
InChIKeyIIPSANVDPMKXIT-UHFFFAOYSA-N
MW481.99 g/mol
LogP5.19
Rot. Bonds5

About 2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine

2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 107739499) has the molecular formula C15H13Br3FNO and a molecular weight of 481.99 g/mol. Its IUPAC name is 2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID107739499
Molecular FormulaC15H13Br3FNO
Molecular Weight481.99 g/mol
Exact Mass478.85
IUPAC Name2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Br)c(OCc2cc(Br)ccc2F)c(Br)c1
InChIInChI=1S/C15H13Br3FNO/c16-11-1-2-14(19)10(7-11)8-21-15-12(17)5-9(3-4-20)6-13(15)18/h1-2,5-7H,3-4,8,20H2
InChIKeyIIPSANVDPMKXIT-UHFFFAOYSA-N
XLogP5.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.99
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dibromo-2-[(5-bromo-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745416
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739433
[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
CID 107741538
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882262
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
CID 107739438
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
1,3-dibromo-2-[(4-bromo-2-fluorophenyl)methoxy]-5-(bromomethyl)benzene
CID 107745679
1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745268
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607692
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
CID 83057703
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine (CID 107739499) is 2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine is NCCc1cc(Br)c(OCc2cc(Br)ccc2F)c(Br)c1.
What is the InChIKey of 2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is IIPSANVDPMKXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3FNO/c16-11-1-2-14(19)10(7-11)8-21-15-12(17)5-9(3-4-20)6-13(15)18/h1-2,5-7H,3-4,8,20H2.
What are the key properties of 2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine?
2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 481.99 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107739499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).