2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol

C15H19NO2S — CID 55122352

IUPAC2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol
SMILESCCOc1cc(CNC(C)c2ccsc2)ccc1O
InChIInChI=1S/C15H19NO2S/c1-3-18-15-8-12(4-5-14(15)17)9-16-11(2)13-6-7-19-10-13/h4-8,10-11,16-17H,3,9H2,1-2H3
InChIKeyLWHYIZMFEXIPBC-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.70
Rot. Bonds6

About 2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol

2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol (PubChem CID 55122352) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol
PubChem CID55122352
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol
SMILESCCOc1cc(CNC(C)c2ccsc2)ccc1O
InChIInChI=1S/C15H19NO2S/c1-3-18-15-8-12(4-5-14(15)17)9-16-11(2)13-6-7-19-10-13/h4-8,10-11,16-17H,3,9H2,1-2H3
InChIKeyLWHYIZMFEXIPBC-UHFFFAOYSA-N
XLogP3.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
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2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
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4-[(but-3-yn-2-ylamino)methyl]-2-ethoxyphenol
CID 114415445
2-ethoxy-4-(methylaminomethyl)phenol
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N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol
CID 107862653
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide
CID 115676860
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-3-ylethanamine
CID 62840115
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
CID 81390490

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol (CID 55122352) is 2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol is CCOc1cc(CNC(C)c2ccsc2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol?
The InChIKey is LWHYIZMFEXIPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-3-18-15-8-12(4-5-14(15)17)9-16-11(2)13-6-7-19-10-13/h4-8,10-11,16-17H,3,9H2,1-2H3.
What are the key properties of 2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol?
2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol has a molecular weight of 277.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol is sourced from PubChem (CID 55122352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).