1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol

C16H22N2O2S — CID 79472265

IUPAC1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
SMILESCN(CCc1cccs1)CC(O)COc1ccc(N)cc1
InChIInChI=1S/C16H22N2O2S/c1-18(9-8-16-3-2-10-21-16)11-14(19)12-20-15-6-4-13(17)5-7-15/h2-7,10,14,19H,8-9,11-12,17H2,1H3
InChIKeySSNHTGWYSFYLFS-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.24
Rot. Bonds8

About 1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol

1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol (PubChem CID 79472265) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
PubChem CID79472265
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
SMILESCN(CCc1cccs1)CC(O)COc1ccc(N)cc1
InChIInChI=1S/C16H22N2O2S/c1-18(9-8-16-3-2-10-21-16)11-14(19)12-20-15-6-4-13(17)5-7-15/h2-7,10,14,19H,8-9,11-12,17H2,1H3
InChIKeySSNHTGWYSFYLFS-UHFFFAOYSA-N
XLogP2.24
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.24
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

1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 81058463
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
1-(4-aminophenoxy)-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 43563910
1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 54994996
1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 3490148
1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 79476363
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317632
1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46006985
1-(4-aminophenoxy)-3-[cyclopropylmethyl(methyl)amino]propan-2-ol
CID 54884486

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol (CID 79472265) is 1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol is CN(CCc1cccs1)CC(O)COc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
The InChIKey is SSNHTGWYSFYLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-18(9-8-16-3-2-10-21-16)11-14(19)12-20-15-6-4-13(17)5-7-15/h2-7,10,14,19H,8-9,11-12,17H2,1H3.
What are the key properties of 1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol?
1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol has a molecular weight of 306.43 g/mol, XLogP of 2.24, 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(2-thiophen-2-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 79472265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).