N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine

C15H16BrFN2O — CID 81326466

IUPACN-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C15H16BrFN2O/c1-2-6-18-10-13-4-3-5-15(19-13)20-14-8-11(16)7-12(17)9-14/h3-5,7-9,18H,2,6,10H2,1H3
InChIKeySWXDNXRGNPZTQA-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.28
Rot. Bonds6

About N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 81326466) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID81326466
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC NameN-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C15H16BrFN2O/c1-2-6-18-10-13-4-3-5-15(19-13)20-14-8-11(16)7-12(17)9-14/h3-5,7-9,18H,2,6,10H2,1H3
InChIKeySWXDNXRGNPZTQA-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-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908526
6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine
CID 81325494
N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 81326156
2-(3-bromo-5-fluorophenoxy)-6-methoxypyridine
CID 81331550
N-[[6-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66466126
N-[[6-(4-ethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298336
N-[[3-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 81313712
N-[[4-(3-bromo-5-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81326386
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-(3-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62323410
N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine
CID 81325689
N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296086

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine (CID 81326466) is N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(Oc2cc(F)cc(Br)c2)n1.
What is the InChIKey of N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is SWXDNXRGNPZTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-2-6-18-10-13-4-3-5-15(19-13)20-14-8-11(16)7-12(17)9-14/h3-5,7-9,18H,2,6,10H2,1H3.
What are the key properties of N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(3-bromo-5-fluorophenoxy)-2-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-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81326466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).