1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol

C16H20N2O3 — CID 62269338

IUPAC1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol
SMILESNc1ccc(OCC(O)COCCc2ccccn2)cc1
InChIInChI=1S/C16H20N2O3/c17-13-4-6-16(7-5-13)21-12-15(19)11-20-10-8-14-3-1-2-9-18-14/h1-7,9,15,19H,8,10-12,17H2
InChIKeyREGWFMIOXHRASW-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.66
Rot. Bonds8

About 1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol

1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol (PubChem CID 62269338) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol
PubChem CID62269338
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol
SMILESNc1ccc(OCC(O)COCCc2ccccn2)cc1
InChIInChI=1S/C16H20N2O3/c17-13-4-6-16(7-5-13)21-12-15(19)11-20-10-8-14-3-1-2-9-18-14/h1-7,9,15,19H,8,10-12,17H2
InChIKeyREGWFMIOXHRASW-UHFFFAOYSA-N
XLogP1.66
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
CID 43366212
1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
CID 115941805
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol
CID 62269701
1-(cyclopropylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 43166281
1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol
CID 114157270
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635632
(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine
CID 78937530
2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide
CID 43368929
1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
CID 70425205

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol (CID 62269338) is 1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol is Nc1ccc(OCC(O)COCCc2ccccn2)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol?
The InChIKey is REGWFMIOXHRASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-13-4-6-16(7-5-13)21-12-15(19)11-20-10-8-14-3-1-2-9-18-14/h1-7,9,15,19H,8,10-12,17H2.
What are the key properties of 1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol?
1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol has a molecular weight of 288.35 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol is sourced from PubChem (CID 62269338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).