N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine

C15H16BrFN2O — CID 62322221

IUPACN-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2ccc(Br)cc2F)nc1
InChIInChI=1S/C15H16BrFN2O/c1-10(2)18-8-11-3-6-15(19-9-11)20-14-5-4-12(16)7-13(14)17/h3-7,9-10,18H,8H2,1-2H3
InChIKeyPVGXYEAQGBLQMQ-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.27
Rot. Bonds5

About N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62322221) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62322221
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC NameN-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2ccc(Br)cc2F)nc1
InChIInChI=1S/C15H16BrFN2O/c1-10(2)18-8-11-3-6-15(19-9-11)20-14-5-4-12(16)7-13(14)17/h3-7,9-10,18H,8H2,1-2H3
InChIKeyPVGXYEAQGBLQMQ-UHFFFAOYSA-N
XLogP4.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637433
N-[[4-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283633
N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322902
1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640738
N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296185
N-[[6-(2,4-dibromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64721563
N-[[6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62323095
N-[[6-(5-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 114674388
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63216591
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283629
N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62321526
N-[[4-(3-bromo-5-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 81315502

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62322221) is N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(Oc2ccc(Br)cc2F)nc1.
What is the InChIKey of N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is PVGXYEAQGBLQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-10(2)18-8-11-3-6-15(19-9-11)20-14-5-4-12(16)7-13(14)17/h3-7,9-10,18H,8H2,1-2H3.
What are the key properties of N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 339.21 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62322221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).