1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol

C16H21N3O2 — CID 106895704

IUPAC1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
SMILESCCc1cccc(OCC(O)CNCc2cccnn2)c1
InChIInChI=1S/C16H21N3O2/c1-2-13-5-3-7-16(9-13)21-12-15(20)11-17-10-14-6-4-8-18-19-14/h3-9,15,17,20H,2,10-12H2,1H3
InChIKeyJUIGXHSUQPIVIL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.57
Rot. Bonds8

About 1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol

1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol (PubChem CID 106895704) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
PubChem CID106895704
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
SMILESCCc1cccc(OCC(O)CNCc2cccnn2)c1
InChIInChI=1S/C16H21N3O2/c1-2-13-5-3-7-16(9-13)21-12-15(20)11-17-10-14-6-4-8-18-19-14/h3-9,15,17,20H,2,10-12H2,1H3
InChIKeyJUIGXHSUQPIVIL-UHFFFAOYSA-N
XLogP1.57
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895894
1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 106417544
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
4-[2-hydroxy-3-(pyridazin-3-ylmethylamino)propoxy]benzonitrile
CID 106895718
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-(3-propoxyphenyl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106834067
1-(3-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60743860
1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895709
1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
CID 83019115
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898710
1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 60713290
1-(3-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83020851

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol (CID 106895704) is 1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol is CCc1cccc(OCC(O)CNCc2cccnn2)c1.
What is the InChIKey of 1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol?
The InChIKey is JUIGXHSUQPIVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-13-5-3-7-16(9-13)21-12-15(20)11-17-10-14-6-4-8-18-19-14/h3-9,15,17,20H,2,10-12H2,1H3.
What are the key properties of 1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol?
1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 106895704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).