2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol

C13H23NO2S — CID 114164876

IUPAC2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCC(O)c1cccs1
InChIInChI=1S/C13H23NO2S/c1-3-13(4-2,10-15)9-14-8-11(16)12-6-5-7-17-12/h5-7,11,14-16H,3-4,8-10H2,1-2H3
InChIKeyDYFUUJHSDXJMKJ-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.17
Rot. Bonds8

About 2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol

2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol (PubChem CID 114164876) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol
PubChem CID114164876
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCC(O)c1cccs1
InChIInChI=1S/C13H23NO2S/c1-3-13(4-2,10-15)9-14-8-11(16)12-6-5-7-17-12/h5-7,11,14-16H,3-4,8-10H2,1-2H3
InChIKeyDYFUUJHSDXJMKJ-UHFFFAOYSA-N
XLogP2.17
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418518
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
CID 113239709
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide
CID 113293230
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
CID 65314705
2-[(2-methylpropan-2-yl)oxyamino]-1-thiophen-2-ylethanol
CID 82724870
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol (CID 114164876) is 2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNCC(O)c1cccs1.
What is the InChIKey of 2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol?
The InChIKey is DYFUUJHSDXJMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-3-13(4-2,10-15)9-14-8-11(16)12-6-5-7-17-12/h5-7,11,14-16H,3-4,8-10H2,1-2H3.
What are the key properties of 2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol has a molecular weight of 257.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 114164876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).