N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine

C15H13BrClFN2O — CID 65201433

IUPACN-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
SMILESFc1cc(Oc2ncc(CNC3CC3)cc2Cl)ccc1Br
InChIInChI=1S/C15H13BrClFN2O/c16-12-4-3-11(6-14(12)18)21-15-13(17)5-9(8-20-15)7-19-10-1-2-10/h3-6,8,10,19H,1-2,7H2
InChIKeyHPSJVFPMGXJYTM-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.68
Rot. Bonds5

About N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 65201433) has the molecular formula C15H13BrClFN2O and a molecular weight of 371.64 g/mol. Its IUPAC name is N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
PubChem CID65201433
Molecular FormulaC15H13BrClFN2O
Molecular Weight371.64 g/mol
Exact Mass369.99
IUPAC NameN-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
SMILESFc1cc(Oc2ncc(CNC3CC3)cc2Cl)ccc1Br
InChIInChI=1S/C15H13BrClFN2O/c16-12-4-3-11(6-14(12)18)21-15-13(17)5-9(8-20-15)7-19-10-1-2-10/h3-6,8,10,19H,1-2,7H2
InChIKeyHPSJVFPMGXJYTM-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

Analyze N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62295657
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 65201430
N-[[2-(4-bromo-3-fluorophenoxy)-6-chlorophenyl]methyl]cyclopropanamine
CID 65201184
N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636342
N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 114929049
N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 65201369
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 82007113
N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391381
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
3-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)pyridine
CID 61269746
N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine (CID 65201433) is N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine is Fc1cc(Oc2ncc(CNC3CC3)cc2Cl)ccc1Br.
What is the InChIKey of N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is HPSJVFPMGXJYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O/c16-12-4-3-11(6-14(12)18)21-15-13(17)5-9(8-20-15)7-19-10-1-2-10/h3-6,8,10,19H,1-2,7H2.
What are the key properties of N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-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-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 65201433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).