(2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol

C17H21NO2S — CID 10685878

IUPAC(2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol
SMILESO[C@H](CNCCSc1ccccc1)COc1ccccc1
InChIInChI=1S/C17H21NO2S/c19-15(14-20-16-7-3-1-4-8-16)13-18-11-12-21-17-9-5-2-6-10-17/h1-10,15,18-19H,11-14H2/t15-/m1/s1
InChIKeyRTFCJKGFLCEBNN-OAHLLOKOSA-N
MW303.43 g/mol
LogP2.81
Rot. Bonds9

About (2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol

(2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol (PubChem CID 10685878) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is (2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol
PubChem CID10685878
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name(2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol
SMILESO[C@H](CNCCSc1ccccc1)COc1ccccc1
InChIInChI=1S/C17H21NO2S/c19-15(14-20-16-7-3-1-4-8-16)13-18-11-12-21-17-9-5-2-6-10-17/h1-10,15,18-19H,11-14H2/t15-/m1/s1
InChIKeyRTFCJKGFLCEBNN-OAHLLOKOSA-N
XLogP2.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-(4-bromophenyl)sulfanylethylamino]-3-phenoxypropan-2-ol
CID 2106525
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
CID 106160109
7-[(2-hydroxy-3-phenoxypropyl)amino]heptanoic acid
CID 3304910
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol?
The IUPAC name of (2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol (CID 10685878) is (2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol is O[C@H](CNCCSc1ccccc1)COc1ccccc1.
What is the InChIKey of (2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol?
The InChIKey is RTFCJKGFLCEBNN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21NO2S/c19-15(14-20-16-7-3-1-4-8-16)13-18-11-12-21-17-9-5-2-6-10-17/h1-10,15,18-19H,11-14H2/t15-/m1/s1.
What are the key properties of (2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol?
(2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol has a molecular weight of 303.43 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol is sourced from PubChem (CID 10685878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).