(1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine

C15H15BrFNO — CID 102982249

IUPAC(1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(F)cc1Oc1ccc([C@@H](C)N)cc1Br
InChIInChI=1S/C15H15BrFNO/c1-9-3-5-12(17)8-15(9)19-14-6-4-11(10(2)18)7-13(14)16/h3-8,10H,18H2,1-2H3/t10-/m1/s1
InChIKeyZWOWYAYRASRPTG-SNVBAGLBSA-N
MW324.19 g/mol
LogP4.71
Rot. Bonds3

About (1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine

(1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine (PubChem CID 102982249) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
PubChem CID102982249
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name(1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(F)cc1Oc1ccc([C@@H](C)N)cc1Br
InChIInChI=1S/C15H15BrFNO/c1-9-3-5-12(17)8-15(9)19-14-6-4-11(10(2)18)7-13(14)16/h3-8,10H,18H2,1-2H3/t10-/m1/s1
InChIKeyZWOWYAYRASRPTG-SNVBAGLBSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-bromo-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 63369927
1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 43189121
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanamine
CID 107099982
1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine
CID 64719989
1-[3-bromo-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63533635
(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78944434
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
(1R)-1-[3-bromo-4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 78944496
1-[3-bromo-4-(2-tert-butylphenoxy)phenyl]ethanamine
CID 63533904
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938373

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine (CID 102982249) is (1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine is Cc1ccc(F)cc1Oc1ccc([C@@H](C)N)cc1Br.
What is the InChIKey of (1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine?
The InChIKey is ZWOWYAYRASRPTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-9-3-5-12(17)8-15(9)19-14-6-4-11(10(2)18)7-13(14)16/h3-8,10H,18H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine?
(1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine has a molecular weight of 324.19 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 102982249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).