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

C15H14Br2FNO — CID 107739433

IUPAC2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Br)c(OCc2ccccc2F)c(Br)c1
InChIInChI=1S/C15H14Br2FNO/c16-12-7-10(5-6-19)8-13(17)15(12)20-9-11-3-1-2-4-14(11)18/h1-4,7-8H,5-6,9,19H2
InChIKeyAAWRCGWYKUELQQ-UHFFFAOYSA-N
MW403.09 g/mol
LogP4.43
Rot. Bonds5

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

2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 107739433) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is 2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID107739433
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC Name2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Br)c(OCc2ccccc2F)c(Br)c1
InChIInChI=1S/C15H14Br2FNO/c16-12-7-10(5-6-19)8-13(17)15(12)20-9-11-3-1-2-4-14(11)18/h1-4,7-8H,5-6,9,19H2
InChIKeyAAWRCGWYKUELQQ-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.09
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739499
3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707072
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
CID 107739438
3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoate
CID 8707071
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882262
[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
CID 107741538
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115957934
N-[[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126123361
1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745489
2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 114857497
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine (CID 107739433) is 2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine is NCCc1cc(Br)c(OCc2ccccc2F)c(Br)c1.
What is the InChIKey of 2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is AAWRCGWYKUELQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c16-12-7-10(5-6-19)8-13(17)15(12)20-9-11-3-1-2-4-14(11)18/h1-4,7-8H,5-6,9,19H2.
What are the key properties of 2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine?
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 403.09 g/mol, XLogP of 4.43, 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-[(2-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107739433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).