1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine

C14H12Br2FNO — CID 64719989

IUPAC1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(Br)cc2Br)c(F)c1
InChIInChI=1S/C14H12Br2FNO/c1-8(18)9-2-4-14(12(17)6-9)19-13-5-3-10(15)7-11(13)16/h2-8H,18H2,1H3
InChIKeyIBFRWYOJDWKWFG-UHFFFAOYSA-N
MW389.06 g/mol
LogP5.16
Rot. Bonds3

About 1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine

1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine (PubChem CID 64719989) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine
PubChem CID64719989
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(Br)cc2Br)c(F)c1
InChIInChI=1S/C14H12Br2FNO/c1-8(18)9-2-4-14(12(17)6-9)19-13-5-3-10(15)7-11(13)16/h2-8H,18H2,1H3
InChIKeyIBFRWYOJDWKWFG-UHFFFAOYSA-N
XLogP5.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.06
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanamine
CID 107099982
(1S)-1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanamine
CID 107724826
(1R)-1-[4-[(5-bromo-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
CID 78962755
(1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102982249
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 43123461
(1S)-1-[2-(4-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 28971365
(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78944434
(1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 104862282
1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 43189121

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine (CID 64719989) is 1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine is CC(N)c1ccc(Oc2ccc(Br)cc2Br)c(F)c1.
What is the InChIKey of 1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine?
The InChIKey is IBFRWYOJDWKWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c1-8(18)9-2-4-14(12(17)6-9)19-13-5-3-10(15)7-11(13)16/h2-8H,18H2,1H3.
What are the key properties of 1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine?
1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine has a molecular weight of 389.06 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 64719989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).