(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol

C11H18N2O2 — CID 51863667

IUPAC(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@@H](O)COc1ccc(N)cc1
InChIInChI=1S/C11H18N2O2/c1-13(2)7-10(14)8-15-11-5-3-9(12)4-6-11/h3-6,10,14H,7-8,12H2,1-2H3/t10-/m1/s1
InChIKeyBOYVZXJHUROLHZ-SNVBAGLBSA-N
MW210.28 g/mol
LogP0.57
Rot. Bonds5

About (2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol

(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol (PubChem CID 51863667) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
PubChem CID51863667
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
SMILESCN(C)C[C@@H](O)COc1ccc(N)cc1
InChIInChI=1S/C11H18N2O2/c1-13(2)7-10(14)8-15-11-5-3-9(12)4-6-11/h3-6,10,14H,7-8,12H2,1-2H3/t10-/m1/s1
InChIKeyBOYVZXJHUROLHZ-SNVBAGLBSA-N
XLogP0.57
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenoxy)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112657713
1-(4-aminophenoxy)-3-[cyclopropylmethyl(methyl)amino]propan-2-ol
CID 54884486
1-(4-aminophenoxy)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 81058463
1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol
CID 43587427
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-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
CID 79385193
1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444137
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
1-(4-aminophenoxy)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 79472265
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol
CID 158905883

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol (CID 51863667) is (2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol is CN(C)C[C@@H](O)COc1ccc(N)cc1.
What is the InChIKey of (2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol?
The InChIKey is BOYVZXJHUROLHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13(2)7-10(14)8-15-11-5-3-9(12)4-6-11/h3-6,10,14H,7-8,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol?
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 51863667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).