1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol

C13H22N2O3 — CID 104551272

IUPAC1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol
SMILESCC(CO)N(C)CC(O)COc1ccccc1N
InChIInChI=1S/C13H22N2O3/c1-10(8-16)15(2)7-11(17)9-18-13-6-4-3-5-12(13)14/h3-6,10-11,16-17H,7-9,14H2,1-2H3
InChIKeyJQLHDOUVIKWOGY-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.32
Rot. Bonds7

About 1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol

1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol (PubChem CID 104551272) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol
PubChem CID104551272
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol
SMILESCC(CO)N(C)CC(O)COc1ccccc1N
InChIInChI=1S/C13H22N2O3/c1-10(8-16)15(2)7-11(17)9-18-13-6-4-3-5-12(13)14/h3-6,10-11,16-17H,7-9,14H2,1-2H3
InChIKeyJQLHDOUVIKWOGY-UHFFFAOYSA-N
XLogP0.32
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol
CID 43364477
1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 61244457
1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
CID 62269721
2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-methylamino]-N-methylacetamide
CID 43374456
3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 113425868
1-(2-aminophenoxy)-3-pentoxypropan-2-ol
CID 62268656
1-(2-aminophenoxy)-3-hexoxypropan-2-ol
CID 62267422
2-(2-methylpentoxy)aniline
CID 45075234
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
1-(2-aminophenoxy)propane-2-sulfonic acid
CID 87262430
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol (CID 104551272) is 1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol is CC(CO)N(C)CC(O)COc1ccccc1N.
What is the InChIKey of 1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol?
The InChIKey is JQLHDOUVIKWOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(8-16)15(2)7-11(17)9-18-13-6-4-3-5-12(13)14/h3-6,10-11,16-17H,7-9,14H2,1-2H3.
What are the key properties of 1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol?
1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol is sourced from PubChem (CID 104551272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).