(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine

C15H15F2NO — CID 107658794

IUPAC(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
SMILESCc1cccc(Oc2cccc(F)c2[C@@H](C)N)c1F
InChIInChI=1S/C15H15F2NO/c1-9-5-3-8-13(15(9)17)19-12-7-4-6-11(16)14(12)10(2)18/h3-8,10H,18H2,1-2H3/t10-/m1/s1
InChIKeyDMGIOOLARBCIFQ-SNVBAGLBSA-N
MW263.29 g/mol
LogP4.09
Rot. Bonds3

About (1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine

(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine (PubChem CID 107658794) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
PubChem CID107658794
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
SMILESCc1cccc(Oc2cccc(F)c2[C@@H](C)N)c1F
InChIInChI=1S/C15H15F2NO/c1-9-5-3-8-13(15(9)17)19-12-7-4-6-11(16)14(12)10(2)18/h3-8,10H,18H2,1-2H3/t10-/m1/s1
InChIKeyDMGIOOLARBCIFQ-SNVBAGLBSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518
1-[2-(2-chloro-4-methylphenoxy)-6-fluorophenyl]ethanamine
CID 62671655
1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 43123461
1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 43128559
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
(1S)-1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937798
1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 61030650
(1R)-1-[2-(2-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 63534177
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
1-[2-fluoro-6-(3-methyl-4-nitrophenoxy)phenyl]ethanamine
CID 61031032

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine (CID 107658794) is (1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine is Cc1cccc(Oc2cccc(F)c2[C@@H](C)N)c1F.
What is the InChIKey of (1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine?
The InChIKey is DMGIOOLARBCIFQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-9-5-3-8-13(15(9)17)19-12-7-4-6-11(16)14(12)10(2)18/h3-8,10H,18H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine?
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine has a molecular weight of 263.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 107658794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).