1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine

C16H16BrF2NO — CID 81314227

IUPAC1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrF2NO/c1-3-20-10(2)16-14(19)5-4-6-15(16)21-13-8-11(17)7-12(18)9-13/h4-10,20H,3H2,1-2H3
InChIKeyKVDIUAAFUOWAQW-UHFFFAOYSA-N
MW356.21 g/mol
LogP5.19
Rot. Bonds5

About 1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine

1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine (PubChem CID 81314227) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine
PubChem CID81314227
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C16H16BrF2NO/c1-3-20-10(2)16-14(19)5-4-6-15(16)21-13-8-11(17)7-12(18)9-13/h4-10,20H,3H2,1-2H3
InChIKeyKVDIUAAFUOWAQW-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 43285545
1-[3-(3-bromo-5-fluorophenoxy)phenyl]-N-ethylethanamine
CID 81331400
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
CID 82006421
1-[4-bromo-2-(3-fluorophenoxy)phenyl]-N-ethylethanamine
CID 82975645
1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285412
N-[[4-(3-bromo-5-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 81315502
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol
CID 112679142
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789
1-[3-(4-bromo-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 79167955
N-[[2-(3-bromo-5-fluorophenoxy)-4-chlorophenyl]methyl]propan-2-amine
CID 114857583
1-(3-bromo-5-fluorophenoxy)-3-fluoro-2-nitrobenzene
CID 81331353

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine (CID 81314227) is 1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine is CCNC(C)c1c(F)cccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine?
The InChIKey is KVDIUAAFUOWAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-3-20-10(2)16-14(19)5-4-6-15(16)21-13-8-11(17)7-12(18)9-13/h4-10,20H,3H2,1-2H3.
What are the key properties of 1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine?
1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine has a molecular weight of 356.21 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 81314227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).