(2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol

C17H23NO2S — CID 97232572

IUPAC(2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol
SMILESCOc1ccccc1C[C@H](C)NC[C@](C)(O)c1cccs1
InChIInChI=1S/C17H23NO2S/c1-13(11-14-7-4-5-8-15(14)20-3)18-12-17(2,19)16-9-6-10-21-16/h4-10,13,18-19H,11-12H2,1-3H3/t13-,17-/m0/s1
InChIKeyCYQOCFTVMMNHBL-GUYCJALGSA-N
MW305.44 g/mol
LogP3.18
Rot. Bonds7

About (2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol

(2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol (PubChem CID 97232572) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is (2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol
PubChem CID97232572
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name(2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol
SMILESCOc1ccccc1C[C@H](C)NC[C@](C)(O)c1cccs1
InChIInChI=1S/C17H23NO2S/c1-13(11-14-7-4-5-8-15(14)20-3)18-12-17(2,19)16-9-6-10-21-16/h4-10,13,18-19H,11-12H2,1-3H3/t13-,17-/m0/s1
InChIKeyCYQOCFTVMMNHBL-GUYCJALGSA-N
XLogP3.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol with MolForge

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide
CID 111719972
tert-butyl 3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanoate
CID 110012268
3-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]butanamide
CID 111755667
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
2-ethyl-2-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]butanoic acid
CID 122128674
N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine
CID 60936190
1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 61285032
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590
(E)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 96567011
2-(2-methoxyphenyl)-1-thiophen-2-ylethanol
CID 61087312
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of (2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol (CID 97232572) is (2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol is COc1ccccc1C[C@H](C)NC[C@](C)(O)c1cccs1.
What is the InChIKey of (2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol?
The InChIKey is CYQOCFTVMMNHBL-GUYCJALGSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-13(11-14-7-4-5-8-15(14)20-3)18-12-17(2,19)16-9-6-10-21-16/h4-10,13,18-19H,11-12H2,1-3H3/t13-,17-/m0/s1.
What are the key properties of (2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol?
(2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol has a molecular weight of 305.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 97232572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).