1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine

C14H13BrFNO — CID 43189121

IUPAC1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H13BrFNO/c1-9(17)10-2-5-12(6-3-10)18-14-7-4-11(16)8-13(14)15/h2-9H,17H2,1H3
InChIKeyAGEMHFOMGCNKQC-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.40
Rot. Bonds3

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

1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine (PubChem CID 43189121) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
PubChem CID43189121
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H13BrFNO/c1-9(17)10-2-5-12(6-3-10)18-14-7-4-11(16)8-13(14)15/h2-9H,17H2,1H3
InChIKeyAGEMHFOMGCNKQC-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102982249
(1S)-1-[3-bromo-4-(4-ethoxyphenoxy)phenyl]ethanamine
CID 78937841
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273
(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 78933004
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
(1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 83235043
(1S)-1-[3-bromo-4-(4-propoxyphenoxy)phenyl]ethanamine
CID 63532122
(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
CID 78938448
2-[4-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]ethanol
CID 107709115
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402372
(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 78944452
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine (CID 43189121) is 1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine is CC(N)c1ccc(Oc2ccc(F)cc2Br)cc1.
What is the InChIKey of 1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine?
The InChIKey is AGEMHFOMGCNKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9(17)10-2-5-12(6-3-10)18-14-7-4-11(16)8-13(14)15/h2-9H,17H2,1H3.
What are the key properties of 1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine?
1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine has a molecular weight of 310.17 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 43189121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).