2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine

C14H13BrFNO — CID 114066145

IUPAC2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine
SMILESNCCc1c(F)cccc1Oc1cccc(Br)c1
InChIInChI=1S/C14H13BrFNO/c15-10-3-1-4-11(9-10)18-14-6-2-5-13(16)12(14)7-8-17/h1-6,9H,7-8,17H2
InChIKeyIQSGSCPLMREWIV-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.88
Rot. Bonds4

About 2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine

2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine (PubChem CID 114066145) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine
PubChem CID114066145
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine
SMILESNCCc1c(F)cccc1Oc1cccc(Br)c1
InChIInChI=1S/C14H13BrFNO/c15-10-3-1-4-11(9-10)18-14-6-2-5-13(16)12(14)7-8-17/h1-6,9H,7-8,17H2
InChIKeyIQSGSCPLMREWIV-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802444
[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385388
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 79516558
2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 55238754
(1S)-1-[2-(3-bromophenoxy)-6-fluorophenyl]ethanol
CID 78941624
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905
1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 43285545
2-(2-bromo-6-fluorophenyl)ethanamine
CID 83384131
3-(3-bromophenoxy)-2-iodophenol
CID 173228973
[2-fluoro-6-(3-methylphenoxy)phenyl]methanol
CID 114065347
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine (CID 114066145) is 2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine is NCCc1c(F)cccc1Oc1cccc(Br)c1.
What is the InChIKey of 2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine?
The InChIKey is IQSGSCPLMREWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-10-3-1-4-11(9-10)18-14-6-2-5-13(16)12(14)7-8-17/h1-6,9H,7-8,17H2.
What are the key properties of 2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine?
2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine has a molecular weight of 310.17 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 114066145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).