[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine

C14H11BrF3NO — CID 79886486

IUPAC[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
SMILESNCc1cc(F)c(OCc2ccc(F)c(Br)c2)c(F)c1
InChIInChI=1S/C14H11BrF3NO/c15-10-3-8(1-2-11(10)16)7-20-14-12(17)4-9(6-19)5-13(14)18/h1-5H,6-7,19H2
InChIKeyQFGLLWBZUPMIDV-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.90
Rot. Bonds4

About [4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine

[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine (PubChem CID 79886486) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is [4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
PubChem CID79886486
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
SMILESNCc1cc(F)c(OCc2ccc(F)c(Br)c2)c(F)c1
InChIInChI=1S/C14H11BrF3NO/c15-10-3-8(1-2-11(10)16)7-20-14-12(17)4-9(6-19)5-13(14)18/h1-5H,6-7,19H2
InChIKeyQFGLLWBZUPMIDV-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886388
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115957934
[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107695003
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957662
5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline
CID 79843197
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
CID 107741447
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine?
The IUPAC name of [4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine (CID 79886486) is [4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine?
The canonical SMILES for [4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine is NCc1cc(F)c(OCc2ccc(F)c(Br)c2)c(F)c1.
What is the InChIKey of [4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine?
The InChIKey is QFGLLWBZUPMIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-10-3-8(1-2-11(10)16)7-20-14-12(17)4-9(6-19)5-13(14)18/h1-5H,6-7,19H2.
What are the key properties of [4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine?
[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine has a molecular weight of 346.15 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine is sourced from PubChem (CID 79886486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).