1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol

C14H24N2O2S — CID 112657713

IUPAC1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
SMILESCSCC(C)N(C)CC(O)COc1ccc(N)cc1
InChIInChI=1S/C14H24N2O2S/c1-11(10-19-3)16(2)8-13(17)9-18-14-6-4-12(15)5-7-14/h4-7,11,13,17H,8-10,15H2,1-3H3
InChIKeyVOAQQXPIXJXJOR-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.69
Rot. Bonds8

About 1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol

1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol (PubChem CID 112657713) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
PubChem CID112657713
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
SMILESCSCC(C)N(C)CC(O)COc1ccc(N)cc1
InChIInChI=1S/C14H24N2O2S/c1-11(10-19-3)16(2)8-13(17)9-18-14-6-4-12(15)5-7-14/h4-7,11,13,17H,8-10,15H2,1-3H3
InChIKeyVOAQQXPIXJXJOR-UHFFFAOYSA-N
XLogP1.69
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 81058463
1-(4-aminophenoxy)-3-pentylsulfanylpropan-2-ol
CID 107748428
1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol
CID 43587427
1-(4-aminophenoxy)-3-[cyclopropylmethyl(methyl)amino]propan-2-ol
CID 54884486
1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 61450020
1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444137
1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
CID 79385193
1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112658794
1-(4-aminophenoxy)-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 43563910
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol
CID 70528605

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol (CID 112657713) is 1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol is CSCC(C)N(C)CC(O)COc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol?
The InChIKey is VOAQQXPIXJXJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(10-19-3)16(2)8-13(17)9-18-14-6-4-12(15)5-7-14/h4-7,11,13,17H,8-10,15H2,1-3H3.
What are the key properties of 1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol?
1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol has a molecular weight of 284.43 g/mol, XLogP of 1.69, 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-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 112657713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).