N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine

C16H19N3O2 — CID 62336369

IUPACN-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCCOc1cccc(Oc2ccc(CNC3CC3)nn2)c1
InChIInChI=1S/C16H19N3O2/c1-2-20-14-4-3-5-15(10-14)21-16-9-8-13(18-19-16)11-17-12-6-7-12/h3-5,8-10,12,17H,2,6-7,11H2,1H3
InChIKeyXWLWLCNWWGWOFX-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.92
Rot. Bonds7

About N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine

N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine (PubChem CID 62336369) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
PubChem CID62336369
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCCOc1cccc(Oc2ccc(CNC3CC3)nn2)c1
InChIInChI=1S/C16H19N3O2/c1-2-20-14-4-3-5-15(10-14)21-16-9-8-13(18-19-16)11-17-12-6-7-12/h3-5,8-10,12,17H,2,6-7,11H2,1H3
InChIKeyXWLWLCNWWGWOFX-UHFFFAOYSA-N
XLogP2.92
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297853
N-[[6-(4-methoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62323240
N-[[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 107725866
N-[[6-(4-chloro-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62322068
N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253545
N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298332
N-[[4-(4-ethoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297962
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281646
1-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-methylmethanamine
CID 62297460
N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 63647201
N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]cyclopropanamine
CID 62290303

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine (CID 62336369) is N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine is CCOc1cccc(Oc2ccc(CNC3CC3)nn2)c1.
What is the InChIKey of N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The InChIKey is XWLWLCNWWGWOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-20-14-4-3-5-15(10-14)21-16-9-8-13(18-19-16)11-17-12-6-7-12/h3-5,8-10,12,17H,2,6-7,11H2,1H3.
What are the key properties of N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine has a molecular weight of 285.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62336369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).