2-(2-ethylbutylamino)-1-thiophen-2-ylethanol

C12H21NOS — CID 115756931

IUPAC2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
SMILESCCC(CC)CNCC(O)c1cccs1
InChIInChI=1S/C12H21NOS/c1-3-10(4-2)8-13-9-11(14)12-6-5-7-15-12/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3
InChIKeyWKCFDMPYQHOTCB-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.81
Rot. Bonds7

About 2-(2-ethylbutylamino)-1-thiophen-2-ylethanol

2-(2-ethylbutylamino)-1-thiophen-2-ylethanol (PubChem CID 115756931) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-(2-ethylbutylamino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
PubChem CID115756931
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
SMILESCCC(CC)CNCC(O)c1cccs1
InChIInChI=1S/C12H21NOS/c1-3-10(4-2)8-13-9-11(14)12-6-5-7-15-12/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3
InChIKeyWKCFDMPYQHOTCB-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
CID 113239709
2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol
CID 114164876
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-thiophen-2-ylethanol
CID 114467683
N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide
CID 113221919
N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide
CID 113293230
2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol
CID 82738388

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutylamino)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(2-ethylbutylamino)-1-thiophen-2-ylethanol (CID 115756931) is 2-(2-ethylbutylamino)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(2-ethylbutylamino)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(2-ethylbutylamino)-1-thiophen-2-ylethanol is CCC(CC)CNCC(O)c1cccs1.
What is the InChIKey of 2-(2-ethylbutylamino)-1-thiophen-2-ylethanol?
The InChIKey is WKCFDMPYQHOTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-10(4-2)8-13-9-11(14)12-6-5-7-15-12/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(2-ethylbutylamino)-1-thiophen-2-ylethanol?
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol has a molecular weight of 227.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutylamino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 115756931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).