2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol

C15H19NOS — CID 113239709

IUPAC2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
SMILESCCc1ccc(CNCC(O)c2cccs2)cc1
InChIInChI=1S/C15H19NOS/c1-2-12-5-7-13(8-6-12)10-16-11-14(17)15-4-3-9-18-15/h3-9,14,16-17H,2,10-11H2,1H3
InChIKeyWURNEBGEDUKGSL-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.13
Rot. Bonds6

About 2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol

2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol (PubChem CID 113239709) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
PubChem CID113239709
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
SMILESCCc1ccc(CNCC(O)c2cccs2)cc1
InChIInChI=1S/C15H19NOS/c1-2-12-5-7-13(8-6-12)10-16-11-14(17)15-4-3-9-18-15/h3-9,14,16-17H,2,10-11H2,1H3
InChIKeyWURNEBGEDUKGSL-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide
CID 71990852
2-(2-ethylbutylamino)-1-thiophen-2-ylethanol
CID 115756931
2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol
CID 82738388
N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500127
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
(4-ethylphenyl)-thiophen-2-ylmethanol
CID 61104575
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,2-diol
CID 66175713
2-ethyl-2-[[(2-hydroxy-2-thiophen-2-ylethyl)amino]methyl]butan-1-ol
CID 114164876
2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol
CID 63302557
[2-(4-ethylphenyl)-1-thiophen-2-ylethyl]hydrazine
CID 105193509

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol (CID 113239709) is 2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol is CCc1ccc(CNCC(O)c2cccs2)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol?
The InChIKey is WURNEBGEDUKGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-12-5-7-13(8-6-12)10-16-11-14(17)15-4-3-9-18-15/h3-9,14,16-17H,2,10-11H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol?
2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol has a molecular weight of 261.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 113239709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).