1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol

C15H19NO2S — CID 106435302

IUPAC1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol
SMILESCC(O)(CNCC(O)c1ccsc1)c1ccccc1
InChIInChI=1S/C15H19NO2S/c1-15(18,13-5-3-2-4-6-13)11-16-9-14(17)12-7-8-19-10-12/h2-8,10,14,16-18H,9,11H2,1H3
InChIKeyLVCBQNNXIHQRPA-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.28
Rot. Bonds6

About 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol

1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol (PubChem CID 106435302) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol
PubChem CID106435302
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol
SMILESCC(O)(CNCC(O)c1ccsc1)c1ccccc1
InChIInChI=1S/C15H19NO2S/c1-15(18,13-5-3-2-4-6-13)11-16-9-14(17)12-7-8-19-10-12/h2-8,10,14,16-18H,9,11H2,1H3
InChIKeyLVCBQNNXIHQRPA-UHFFFAOYSA-N
XLogP2.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
CID 62375669
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
CID 120593036
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol
CID 107151998
2-[2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]phenyl]acetic acid
CID 106435361
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-1-ol
CID 106434996
2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717092
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate
CID 106434713
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol (CID 106435302) is 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol is CC(O)(CNCC(O)c1ccsc1)c1ccccc1.
What is the InChIKey of 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol?
The InChIKey is LVCBQNNXIHQRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-15(18,13-5-3-2-4-6-13)11-16-9-14(17)12-7-8-19-10-12/h2-8,10,14,16-18H,9,11H2,1H3.
What are the key properties of 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol?
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol has a molecular weight of 277.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 106435302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).