1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine

C14H12BrF2NO — CID 43123461

IUPAC1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Oc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrF2NO/c1-8(18)14-10(16)3-2-4-13(14)19-12-6-5-9(15)7-11(12)17/h2-8H,18H2,1H3
InChIKeyQRHNSRSZUIZBGU-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.54
Rot. Bonds3

About 1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine

1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine (PubChem CID 43123461) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine
PubChem CID43123461
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Oc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrF2NO/c1-8(18)14-10(16)3-2-4-13(14)19-12-6-5-9(15)7-11(12)17/h2-8H,18H2,1H3
InChIKeyQRHNSRSZUIZBGU-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(4-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 28971365
4-[2-[(1R)-1-aminoethyl]-3-fluorophenoxy]-3-fluorobenzonitrile
CID 107665517
1-[2-(2-chloro-4-methylphenoxy)-6-fluorophenyl]ethanamine
CID 62671655
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794
1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823693
(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823809
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
CID 104940737
1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine
CID 64719989
2-[2-(1-aminoethyl)-4-bromophenoxy]-6-fluorobenzonitrile
CID 82975947
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine (CID 43123461) is 1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine is CC(N)c1c(F)cccc1Oc1ccc(Br)cc1F.
What is the InChIKey of 1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine?
The InChIKey is QRHNSRSZUIZBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-8(18)14-10(16)3-2-4-13(14)19-12-6-5-9(15)7-11(12)17/h2-8H,18H2,1H3.
What are the key properties of 1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine?
1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine has a molecular weight of 328.16 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 43123461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).