N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine

C15H16BrFN2O — CID 114674391

IUPACN-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(Oc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H16BrFN2O/c1-10(2)19-8-11-5-13(9-18-7-11)20-15-6-12(16)3-4-14(15)17/h3-7,9-10,19H,8H2,1-2H3
InChIKeyWFXIBXHHUPSQMV-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.27
Rot. Bonds5

About N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 114674391) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID114674391
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC NameN-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(Oc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H16BrFN2O/c1-10(2)19-8-11-5-13(9-18-7-11)20-15-6-12(16)3-4-14(15)17/h3-7,9-10,19H,8H2,1-2H3
InChIKeyWFXIBXHHUPSQMV-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-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 114674259
N-[[6-(5-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 114674388
N-[[4-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283633
N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine
CID 114857427
N-[[2-(5-bromo-2-fluorophenoxy)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 114676722
N-[[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637433
N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322221
N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 64854100
N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine
CID 107285773
N-[[4-(3-bromo-5-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 81315502
N-[[4-[(5-bromo-3-pyridinyl)oxy]-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81251108
N-[[3-(3-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105407504

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 114674391) is N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cncc(Oc2cc(Br)ccc2F)c1.
What is the InChIKey of N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is WFXIBXHHUPSQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-10(2)19-8-11-5-13(9-18-7-11)20-15-6-12(16)3-4-14(15)17/h3-7,9-10,19H,8H2,1-2H3.
What are the key properties of N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-(5-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-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114674391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).