1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine

C14H14BrFN2O — CID 114671825

IUPAC1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine
SMILESCC(N)C(Oc1cc(Br)ccc1F)c1ccncc1
InChIInChI=1S/C14H14BrFN2O/c1-9(17)14(10-4-6-18-7-5-10)19-13-8-11(15)2-3-12(13)16/h2-9,14H,17H2,1H3
InChIKeyCNCJPGPEZBFKBD-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.45
Rot. Bonds4

About 1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine

1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine (PubChem CID 114671825) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine
PubChem CID114671825
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine
SMILESCC(N)C(Oc1cc(Br)ccc1F)c1ccncc1
InChIInChI=1S/C14H14BrFN2O/c1-9(17)14(10-4-6-18-7-5-10)19-13-8-11(15)2-3-12(13)16/h2-9,14H,17H2,1H3
InChIKeyCNCJPGPEZBFKBD-UHFFFAOYSA-N
XLogP3.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine
CID 81321859
1-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 114671911
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 104940722
1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine
CID 107283449
1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine
CID 82828548
1-(4-bromophenyl)-1-(3-chloro-4-fluorophenoxy)propan-2-amine
CID 63877779
3-(5-bromo-2-fluorophenoxy)butan-2-ol
CID 115919572
2-(5-bromo-2-fluorophenoxy)propanamide
CID 115918546
(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
CID 163228830
1-(4-bromophenyl)-1-(2,4,5-trichlorophenoxy)propan-2-amine
CID 63456970
2-(5-bromo-2-fluorophenoxy)-2-pyridin-3-ylethanamine
CID 114671799
1-(4-bromophenyl)-1-(4-chloro-3-fluorophenoxy)propan-2-amine
CID 82716945

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine (CID 114671825) is 1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine is CC(N)C(Oc1cc(Br)ccc1F)c1ccncc1.
What is the InChIKey of 1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine?
The InChIKey is CNCJPGPEZBFKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-9(17)14(10-4-6-18-7-5-10)19-13-8-11(15)2-3-12(13)16/h2-9,14H,17H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine?
1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine has a molecular weight of 325.18 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 114671825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).