2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine

C14H13BrFNO — CID 63815572

IUPAC2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1Oc1ccccc1Br
InChIInChI=1S/C14H13BrFNO/c15-12-3-1-2-4-14(12)18-13-6-5-11(16)9-10(13)7-8-17/h1-6,9H,7-8,17H2
InChIKeyRXGOKUYBLQWGKI-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.88
Rot. Bonds4

About 2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine

2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine (PubChem CID 63815572) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
PubChem CID63815572
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1Oc1ccccc1Br
InChIInChI=1S/C14H13BrFNO/c15-12-3-1-2-4-14(12)18-13-6-5-11(16)9-10(13)7-8-17/h1-6,9H,7-8,17H2
InChIKeyRXGOKUYBLQWGKI-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-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803297
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
2-(2-bromoethyl)-1-[2-(2-bromoethyl)-4-fluorophenoxy]-4-fluorobenzene
CID 67404843
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
2-[2-(2-fluorophenoxy)phenyl]ethanamine
CID 63817709
2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
CID 107700188
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
[2-(2-bromophenoxy)-6-fluorophenyl]methanamine
CID 79517645

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine (CID 63815572) is 2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine is NCCc1cc(F)ccc1Oc1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine?
The InChIKey is RXGOKUYBLQWGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-12-3-1-2-4-14(12)18-13-6-5-11(16)9-10(13)7-8-17/h1-6,9H,7-8,17H2.
What are the key properties of 2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine?
2-[2-(2-bromophenoxy)-5-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-(2-bromophenoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 63815572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).