2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine

C14H17N3O2 — CID 106895861

IUPAC2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCOc1ccc(OCCNCc2cccnn2)cc1
InChIInChI=1S/C14H17N3O2/c1-18-13-4-6-14(7-5-13)19-10-9-15-11-12-3-2-8-16-17-12/h2-8,15H,9-11H2,1H3
InChIKeySEFYHPMOZYIXLD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.65
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine

2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 106895861) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID106895861
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCOc1ccc(OCCNCc2cccnn2)cc1
InChIInChI=1S/C14H17N3O2/c1-18-13-4-6-14(7-5-13)19-10-9-15-11-12-3-2-8-16-17-12/h2-8,15H,9-11H2,1H3
InChIKeySEFYHPMOZYIXLD-UHFFFAOYSA-N
XLogP1.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895756
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895342
2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895585
2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 60697211
2-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 108999224
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106834067
2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895779
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 60685867
2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 104708550

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine (CID 106895861) is 2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine is COc1ccc(OCCNCc2cccnn2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is SEFYHPMOZYIXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-13-4-6-14(7-5-13)19-10-9-15-11-12-3-2-8-16-17-12/h2-8,15H,9-11H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine?
2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 259.31 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106895861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).