N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine

C15H15BrClFN2O — CID 62298131

IUPACN-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccc(F)cc2Br)c(Cl)c1
InChIInChI=1S/C15H15BrClFN2O/c1-2-5-19-8-10-6-13(17)15(20-9-10)21-14-4-3-11(18)7-12(14)16/h3-4,6-7,9,19H,2,5,8H2,1H3
InChIKeyXVJAVPPDJIMSFF-UHFFFAOYSA-N
MW373.65 g/mol
LogP4.93
Rot. Bonds6

About N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine

N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62298131) has the molecular formula C15H15BrClFN2O and a molecular weight of 373.65 g/mol. Its IUPAC name is N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
PubChem CID62298131
Molecular FormulaC15H15BrClFN2O
Molecular Weight373.65 g/mol
Exact Mass372.00
IUPAC NameN-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccc(F)cc2Br)c(Cl)c1
InChIInChI=1S/C15H15BrClFN2O/c1-2-5-19-8-10-6-13(17)15(20-9-10)21-14-4-3-11(18)7-12(14)16/h3-4,6-7,9,19H,2,5,8H2,1H3
InChIKeyXVJAVPPDJIMSFF-UHFFFAOYSA-N
XLogP4.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.65
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62295927
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321494
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62297084
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82007112
4-(2-bromo-4-fluorophenoxy)-N-propylbutan-1-amine
CID 62450934
N-[[3-(2-bromo-4-chlorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 106533376
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 63551840
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297251
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058401
N-[[6-(5-bromo-2,3-difluorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 107101217

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine (CID 62298131) is N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(Oc2ccc(F)cc2Br)c(Cl)c1.
What is the InChIKey of N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is XVJAVPPDJIMSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2O/c1-2-5-19-8-10-6-13(17)15(20-9-10)21-14-4-3-11(18)7-12(14)16/h3-4,6-7,9,19H,2,5,8H2,1H3.
What are the key properties of N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 373.65 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62298131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).