1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine

C15H14Br2FNO — CID 114677140

IUPAC1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Br)cc1Oc1cc(Br)ccc1F
InChIInChI=1S/C15H14Br2FNO/c1-9(19)6-10-2-3-11(16)7-14(10)20-15-8-12(17)4-5-13(15)18/h2-5,7-9H,6,19H2,1H3
InChIKeyYIGCHZFTEAZOKY-UHFFFAOYSA-N
MW403.09 g/mol
LogP5.03
Rot. Bonds4

About 1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine

1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine (PubChem CID 114677140) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is 1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine
PubChem CID114677140
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC Name1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Br)cc1Oc1cc(Br)ccc1F
InChIInChI=1S/C15H14Br2FNO/c1-9(19)6-10-2-3-11(16)7-14(10)20-15-8-12(17)4-5-13(15)18/h2-5,7-9H,6,19H2,1H3
InChIKeyYIGCHZFTEAZOKY-UHFFFAOYSA-N
XLogP5.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.09
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(2-methylphenoxy)phenyl]propan-2-amine
CID 63801754
1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803114
1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine
CID 114862844
1-[2-(5-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 114677108
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 114674405
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 104940716
1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine
CID 63801992
1-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196738
1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 117378215

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine (CID 114677140) is 1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(Br)cc1Oc1cc(Br)ccc1F.
What is the InChIKey of 1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine?
The InChIKey is YIGCHZFTEAZOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-9(19)6-10-2-3-11(16)7-14(10)20-15-8-12(17)4-5-13(15)18/h2-5,7-9H,6,19H2,1H3.
What are the key properties of 1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine?
1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine has a molecular weight of 403.09 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 114677140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).