(2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol

C17H24N2O2S — CID 2093744

IUPAC(2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol
SMILESCN(C)[C@H](CNC[C@H](O)COc1ccccc1)c1cccs1
InChIInChI=1S/C17H24N2O2S/c1-19(2)16(17-9-6-10-22-17)12-18-11-14(20)13-21-15-7-4-3-5-8-15/h3-10,14,16,18,20H,11-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyZUTTXFHZQYLQCD-GOEBONIOSA-N
MW320.46 g/mol
LogP2.38
Rot. Bonds9

About (2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol

(2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol (PubChem CID 2093744) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol
PubChem CID2093744
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol
SMILESCN(C)[C@H](CNC[C@H](O)COc1ccccc1)c1cccs1
InChIInChI=1S/C17H24N2O2S/c1-19(2)16(17-9-6-10-22-17)12-18-11-14(20)13-21-15-7-4-3-5-8-15/h3-10,14,16,18,20H,11-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyZUTTXFHZQYLQCD-GOEBONIOSA-N
XLogP2.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
(2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 2485160
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968
N-methyl-2-phenoxy-1-thiophen-2-ylethanamine
CID 62715336
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
CID 63239730
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680
5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
CID 106160109
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol (CID 2093744) is (2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol is CN(C)[C@H](CNC[C@H](O)COc1ccccc1)c1cccs1.
What is the InChIKey of (2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol?
The InChIKey is ZUTTXFHZQYLQCD-GOEBONIOSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-19(2)16(17-9-6-10-22-17)12-18-11-14(20)13-21-15-7-4-3-5-8-15/h3-10,14,16,18,20H,11-13H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol?
(2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol has a molecular weight of 320.46 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 2093744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).