1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol

C16H21N3O2 — CID 106895894

IUPAC1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNCc2cccnn2)cc1
InChIInChI=1S/C16H21N3O2/c1-2-13-5-7-16(8-6-13)21-12-15(20)11-17-10-14-4-3-9-18-19-14/h3-9,15,17,20H,2,10-12H2,1H3
InChIKeyOVWKVUXNMXNMFX-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.57
Rot. Bonds8

About 1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol

1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol (PubChem CID 106895894) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
PubChem CID106895894
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
SMILESCCc1ccc(OCC(O)CNCc2cccnn2)cc1
InChIInChI=1S/C16H21N3O2/c1-2-13-5-7-16(8-6-13)21-12-15(20)11-17-10-14-4-3-9-18-19-14/h3-9,15,17,20H,2,10-12H2,1H3
InChIKeyOVWKVUXNMXNMFX-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

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Related Compounds

1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895704
4-[2-hydroxy-3-(pyridazin-3-ylmethylamino)propoxy]benzonitrile
CID 106895718
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895709
1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117512
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719
4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64911209
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60908695
1-(3,3-dimethylbutylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 115581071
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
1-(4-ethylphenoxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60969765

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol (CID 106895894) is 1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol is CCc1ccc(OCC(O)CNCc2cccnn2)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol?
The InChIKey is OVWKVUXNMXNMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-13-5-7-16(8-6-13)21-12-15(20)11-17-10-14-4-3-9-18-19-14/h3-9,15,17,20H,2,10-12H2,1H3.
What are the key properties of 1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol?
1-(4-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-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 106895894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).