1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol

C15H25NO4 — CID 115941805

IUPAC1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
SMILESCC(C)(C)OCCOCC(O)COc1ccc(N)cc1
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-9-8-18-10-13(17)11-19-14-6-4-12(16)5-7-14/h4-7,13,17H,8-11,16H2,1-3H3
InChIKeyUOSSDRKANPFIHR-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.84
Rot. Bonds8

About 1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol

1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol (PubChem CID 115941805) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
PubChem CID115941805
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
SMILESCC(C)(C)OCCOCC(O)COc1ccc(N)cc1
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-9-8-18-10-13(17)11-19-14-6-4-12(16)5-7-14/h4-7,13,17H,8-11,16H2,1-3H3
InChIKeyUOSSDRKANPFIHR-UHFFFAOYSA-N
XLogP1.84
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.84
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

1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol
CID 62269701
1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol
CID 114157270
1-(4-aminophenoxy)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 62269338
1-[(2-methylpropan-2-yl)oxy]-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-ol
CID 155627567
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol
CID 43531533
1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
CID 63685060
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
4-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzonitrile
CID 106990717

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol (CID 115941805) is 1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol is CC(C)(C)OCCOCC(O)COc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol?
The InChIKey is UOSSDRKANPFIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-15(2,3)20-9-8-18-10-13(17)11-19-14-6-4-12(16)5-7-14/h4-7,13,17H,8-11,16H2,1-3H3.
What are the key properties of 1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol?
1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 1.84, 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-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol is sourced from PubChem (CID 115941805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).