1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine

C16H17BrFNO — CID 43285545

IUPAC1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1Oc1cccc(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-3-19-11(2)16-14(18)8-5-9-15(16)20-13-7-4-6-12(17)10-13/h4-11,19H,3H2,1-2H3
InChIKeyGNNBCMBRFKYVRB-UHFFFAOYSA-N
MW338.22 g/mol
LogP5.05
Rot. Bonds5

About 1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine

1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine (PubChem CID 43285545) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
PubChem CID43285545
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1Oc1cccc(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-3-19-11(2)16-14(18)8-5-9-15(16)20-13-7-4-6-12(17)10-13/h4-11,19H,3H2,1-2H3
InChIKeyGNNBCMBRFKYVRB-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.22
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 81314227
(1S)-1-[2-(3-bromophenoxy)-6-fluorophenyl]ethanol
CID 78941624
1-[3-(4-bromo-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 79167955
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
1-[4-bromo-2-(3-fluorophenoxy)phenyl]-N-ethylethanamine
CID 82975645
N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655771
1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
CID 82006421
1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine
CID 83140639
1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285412
1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83128091
1-[3-(3-bromo-5-fluorophenoxy)phenyl]-N-ethylethanamine
CID 81331400
2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine
CID 114066145

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine (CID 43285545) is 1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine is CCNC(C)c1c(F)cccc1Oc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine?
The InChIKey is GNNBCMBRFKYVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-19-11(2)16-14(18)8-5-9-15(16)20-13-7-4-6-12(17)10-13/h4-11,19H,3H2,1-2H3.
What are the key properties of 1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine?
1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine has a molecular weight of 338.22 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 43285545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).