N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine

C15H14BrFN2O — CID 81326156

IUPACN-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESFc1cc(Br)cc(Oc2cccc(CNC3CC3)n2)c1
InChIInChI=1S/C15H14BrFN2O/c16-10-6-11(17)8-14(7-10)20-15-3-1-2-13(19-15)9-18-12-4-5-12/h1-3,6-8,12,18H,4-5,9H2
InChIKeyZJHMQJDYLXUZFB-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.03
Rot. Bonds5

About N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 81326156) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID81326156
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESFc1cc(Br)cc(Oc2cccc(CNC3CC3)n2)c1
InChIInChI=1S/C15H14BrFN2O/c16-10-6-11(17)8-14(7-10)20-15-3-1-2-13(19-15)9-18-12-4-5-12/h1-3,6-8,12,18H,4-5,9H2
InChIKeyZJHMQJDYLXUZFB-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908528
N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81331912
N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 81326466
N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 83134114
2-(3-bromo-5-fluorophenoxy)-6-methoxypyridine
CID 81331550
N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62321870
N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298332
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
CID 62287510
6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine
CID 81325494
N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908393

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 81326156) is N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine is Fc1cc(Br)cc(Oc2cccc(CNC3CC3)n2)c1.
What is the InChIKey of N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ZJHMQJDYLXUZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-10-6-11(17)8-14(7-10)20-15-3-1-2-13(19-15)9-18-12-4-5-12/h1-3,6-8,12,18H,4-5,9H2.
What are the key properties of N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(3-bromo-5-fluorophenoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 337.19 g/mol, XLogP of 4.03, 5 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]cyclopropanamine is sourced from PubChem (CID 81326156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).