N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine

C16H19N3O2 — CID 62297563

IUPACN-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCOc1cc(C)ccc1Oc1ccc(CNC2CC2)nn1
InChIInChI=1S/C16H19N3O2/c1-11-3-7-14(15(9-11)20-2)21-16-8-6-13(18-19-16)10-17-12-4-5-12/h3,6-9,12,17H,4-5,10H2,1-2H3
InChIKeyPAMDCPIWJQDTDL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.84
Rot. Bonds6

About N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine

N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine (PubChem CID 62297563) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
PubChem CID62297563
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCOc1cc(C)ccc1Oc1ccc(CNC2CC2)nn1
InChIInChI=1S/C16H19N3O2/c1-11-3-7-14(15(9-11)20-2)21-16-8-6-13(18-19-16)10-17-12-4-5-12/h3,6-9,12,17H,4-5,10H2,1-2H3
InChIKeyPAMDCPIWJQDTDL-UHFFFAOYSA-N
XLogP2.84
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.84
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-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
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-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 63647201
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62336369
N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323460
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]cyclopropanamine
CID 62290303

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine (CID 62297563) is N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine is COc1cc(C)ccc1Oc1ccc(CNC2CC2)nn1.
What is the InChIKey of N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
The InChIKey is PAMDCPIWJQDTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-3-7-14(15(9-11)20-2)21-16-8-6-13(18-19-16)10-17-12-4-5-12/h3,6-9,12,17H,4-5,10H2,1-2H3.
What are the key properties of N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine?
N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine has a molecular weight of 285.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62297563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).