N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine

C15H15Cl3N2O — CID 62296185

IUPACN-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1
InChIInChI=1S/C15H15Cl3N2O/c1-9(2)19-7-10-3-4-15(20-8-10)21-14-6-12(17)11(16)5-13(14)18/h3-6,8-9,19H,7H2,1-2H3
InChIKeyHADLXFPAUFYXCA-UHFFFAOYSA-N
MW345.66 g/mol
LogP5.33
Rot. Bonds5

About N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62296185) has the molecular formula C15H15Cl3N2O and a molecular weight of 345.66 g/mol. Its IUPAC name is N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62296185
Molecular FormulaC15H15Cl3N2O
Molecular Weight345.66 g/mol
Exact Mass344.02
IUPAC NameN-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1
InChIInChI=1S/C15H15Cl3N2O/c1-9(2)19-7-10-3-4-15(20-8-10)21-14-6-12(17)11(16)5-13(14)18/h3-6,8-9,19H,7H2,1-2H3
InChIKeyHADLXFPAUFYXCA-UHFFFAOYSA-N
XLogP5.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.66
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322902
N-[[5-(2,4,5-trichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381657
N-[[6-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62323095
N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62321526
N-[[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322221
N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710
N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298309
N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289960
N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 76938428
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058802
N-[[6-(4-bromo-2,5-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 107660793
N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296038

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62296185) is N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1.
What is the InChIKey of N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is HADLXFPAUFYXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2O/c1-9(2)19-7-10-3-4-15(20-8-10)21-14-6-12(17)11(16)5-13(14)18/h3-6,8-9,19H,7H2,1-2H3.
What are the key properties of N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 345.66 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,4,5-trichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62296185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).