N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine

C16H20ClN3O — CID 62322422

IUPACN-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(Cl)c(CC)c2)nn1
InChIInChI=1S/C16H20ClN3O/c1-3-9-18-11-13-5-8-16(20-19-13)21-14-6-7-15(17)12(4-2)10-14/h5-8,10,18H,3-4,9,11H2,1-2H3
InChIKeyZOXAMAIRDIGVLT-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.98
Rot. Bonds7

About N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 62322422) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID62322422
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(Cl)c(CC)c2)nn1
InChIInChI=1S/C16H20ClN3O/c1-3-9-18-11-13-5-8-16(20-19-13)21-14-6-7-15(17)12(4-2)10-14/h5-8,10,18H,3-4,9,11H2,1-2H3
InChIKeyZOXAMAIRDIGVLT-UHFFFAOYSA-N
XLogP3.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine (CID 62322422) is N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(Oc2ccc(Cl)c(CC)c2)nn1.
What is the InChIKey of N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is ZOXAMAIRDIGVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-9-18-11-13-5-8-16(20-19-13)21-14-6-7-15(17)12(4-2)10-14/h5-8,10,18H,3-4,9,11H2,1-2H3.
What are the key properties of N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 305.81 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62322422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).