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

C14H11Br3FNO — CID 107741538

IUPAC[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Br)c(OCc2ccc(Br)cc2F)c(Br)c1
InChIInChI=1S/C14H11Br3FNO/c15-10-2-1-9(13(18)5-10)7-20-14-11(16)3-8(6-19)4-12(14)17/h1-5H,6-7,19H2
InChIKeyGVXGQLCKYWEHRA-UHFFFAOYSA-N
MW467.96 g/mol
LogP5.15
Rot. Bonds4

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

[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine (PubChem CID 107741538) has the molecular formula C14H11Br3FNO and a molecular weight of 467.96 g/mol. Its IUPAC name is [3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
PubChem CID107741538
Molecular FormulaC14H11Br3FNO
Molecular Weight467.96 g/mol
Exact Mass464.84
IUPAC Name[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Br)c(OCc2ccc(Br)cc2F)c(Br)c1
InChIInChI=1S/C14H11Br3FNO/c15-10-2-1-9(13(18)5-10)7-20-14-11(16)3-8(6-19)4-12(14)17/h1-5H,6-7,19H2
InChIKeyGVXGQLCKYWEHRA-UHFFFAOYSA-N
XLogP5.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine with MolForge

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Related Compounds

1,3-dibromo-2-[(4-bromo-2-fluorophenyl)methoxy]-5-(bromomethyl)benzene
CID 107745679
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882262
3-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-5-chloroaniline
CID 43438663
2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739499
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
1,3-dibromo-2-[(5-bromo-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745416
2-bromo-1-[(4-bromo-2-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63536412
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739433
2-[5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962640
[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886388
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine (CID 107741538) is [3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine is NCc1cc(Br)c(OCc2ccc(Br)cc2F)c(Br)c1.
What is the InChIKey of [3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is GVXGQLCKYWEHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3FNO/c15-10-2-1-9(13(18)5-10)7-20-14-11(16)3-8(6-19)4-12(14)17/h1-5H,6-7,19H2.
What are the key properties of [3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine?
[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine has a molecular weight of 467.96 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 107741538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).