1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine

C14H14BrFN2O — CID 81332247

IUPAC1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine
SMILESCC(N)C(Oc1cc(F)cc(Br)c1)c1ccccn1
InChIInChI=1S/C14H14BrFN2O/c1-9(17)14(13-4-2-3-5-18-13)19-12-7-10(15)6-11(16)8-12/h2-9,14H,17H2,1H3
InChIKeyQXEDADPNTPWAOD-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.45
Rot. Bonds4

About 1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine

1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine (PubChem CID 81332247) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine
PubChem CID81332247
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine
SMILESCC(N)C(Oc1cc(F)cc(Br)c1)c1ccccn1
InChIInChI=1S/C14H14BrFN2O/c1-9(17)14(13-4-2-3-5-18-13)19-12-7-10(15)6-11(16)8-12/h2-9,14H,17H2,1H3
InChIKeyQXEDADPNTPWAOD-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-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 107722871
1-(3-bromo-5-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine
CID 81321859
1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 55246155
1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 55163071
3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile
CID 103566567
2-(3-bromo-5-fluorophenoxy)pyridine
CID 81332605
1-(2-fluoro-5-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 64856151
1-(2-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 63648828
2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
CID 79702482
1-(3-bromo-5-fluorophenoxy)-1-(2-bromophenyl)butan-2-amine
CID 81315466
1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62785959
1-(2-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55023034

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine (CID 81332247) is 1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine is CC(N)C(Oc1cc(F)cc(Br)c1)c1ccccn1.
What is the InChIKey of 1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine?
The InChIKey is QXEDADPNTPWAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-9(17)14(13-4-2-3-5-18-13)19-12-7-10(15)6-11(16)8-12/h2-9,14H,17H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine?
1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-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-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 81332247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).