N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine

C15H16BrFN2O — CID 65201336

IUPACN-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C15H16BrFN2O/c1-2-7-18-10-11-4-3-8-19-15(11)20-12-5-6-13(16)14(17)9-12/h3-6,8-9,18H,2,7,10H2,1H3
InChIKeyQLIOPMGPPGKUON-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.28
Rot. Bonds6

About N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 65201336) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID65201336
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC NameN-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccnc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C15H16BrFN2O/c1-2-7-18-10-11-4-3-8-19-15(11)20-12-5-6-13(16)14(17)9-12/h3-6,8-9,18H,2,7,10H2,1H3
InChIKeyQLIOPMGPPGKUON-UHFFFAOYSA-N
XLogP4.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 65201430
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 62296510
N-[[2-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107660753
N-[[2-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297843
N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296784
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 116803075
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[[2-(3-bromo-4-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391727
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 65203992
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 65201336) is N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cccnc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is QLIOPMGPPGKUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-2-7-18-10-11-4-3-8-19-15(11)20-12-5-6-13(16)14(17)9-12/h3-6,8-9,18H,2,7,10H2,1H3.
What are the key properties of N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 339.21 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 65201336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).