N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine

C15H13BrClFN2O — CID 114929049

IUPACN-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Oc2cc(CNC3CC3)c(Cl)cn2)cc1Br
InChIInChI=1S/C15H13BrClFN2O/c16-12-6-11(3-4-14(12)18)21-15-5-9(13(17)8-20-15)7-19-10-1-2-10/h3-6,8,10,19H,1-2,7H2
InChIKeyYNWJAQXFKAQJEU-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.68
Rot. Bonds5

About N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine

N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 114929049) has the molecular formula C15H13BrClFN2O and a molecular weight of 371.64 g/mol. Its IUPAC name is N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
PubChem CID114929049
Molecular FormulaC15H13BrClFN2O
Molecular Weight371.64 g/mol
Exact Mass369.99
IUPAC NameN-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Oc2cc(CNC3CC3)c(Cl)cn2)cc1Br
InChIInChI=1S/C15H13BrClFN2O/c16-12-6-11(3-4-14(12)18)21-15-5-9(13(17)8-20-15)7-19-10-1-2-10/h3-6,8,10,19H,1-2,7H2
InChIKeyYNWJAQXFKAQJEU-UHFFFAOYSA-N
XLogP4.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 107285698
N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114929107
N-[[2-(4-bromo-3-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928803
N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 65201433
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83231219
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863
N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382017
N-[[5-chloro-2-(3-methylbutan-2-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114928915
N-[[3-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83233513
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 65201430
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
N-[[5-chloro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928209

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine (CID 114929049) is N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine is Fc1ccc(Oc2cc(CNC3CC3)c(Cl)cn2)cc1Br.
What is the InChIKey of N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is YNWJAQXFKAQJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O/c16-12-6-11(3-4-14(12)18)21-15-5-9(13(17)8-20-15)7-19-10-1-2-10/h3-6,8,10,19H,1-2,7H2.
What are the key properties of N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 371.64 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114929049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).