(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine

C13H12BrFN2O — CID 104940722

IUPAC(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccnc(Oc2cc(Br)ccc2F)c1
InChIInChI=1S/C13H12BrFN2O/c1-8(16)9-4-5-17-13(6-9)18-12-7-10(14)2-3-11(12)15/h2-8H,16H2,1H3/t8-/m1/s1
InChIKeyAEAHUZOJPPXZJK-MRVPVSSYSA-N
MW311.15 g/mol
LogP3.80
Rot. Bonds3

About (1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine

(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine (PubChem CID 104940722) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is (1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
PubChem CID104940722
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccnc(Oc2cc(Br)ccc2F)c1
InChIInChI=1S/C13H12BrFN2O/c1-8(16)9-4-5-17-13(6-9)18-12-7-10(14)2-3-11(12)15/h2-8H,16H2,1H3/t8-/m1/s1
InChIKeyAEAHUZOJPPXZJK-MRVPVSSYSA-N
XLogP3.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-bromo-2,3-difluorophenoxy)-4-pyridinyl]ethanamine
CID 107099915
1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine
CID 107658732
1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 116689319
1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine
CID 114671825
1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine
CID 162524387
2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 114671679
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 104940716
(1R)-1-(2-quinolin-5-yloxy-4-pyridinyl)ethanamine
CID 103044967
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
(1S)-1-[2-(3-bromo-5-nitrophenoxy)-4-pyridinyl]ethanamine
CID 103588811
1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine
CID 64719989
1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine
CID 114677140

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine (CID 104940722) is (1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine is C[C@@H](N)c1ccnc(Oc2cc(Br)ccc2F)c1.
What is the InChIKey of (1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine?
The InChIKey is AEAHUZOJPPXZJK-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-8(16)9-4-5-17-13(6-9)18-12-7-10(14)2-3-11(12)15/h2-8H,16H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine?
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine has a molecular weight of 311.15 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine is sourced from PubChem (CID 104940722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).