1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol

C14H17NOS — CID 83962994

IUPAC1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol
SMILESCC(O)c1cccc(NCCc2cccs2)c1
InChIInChI=1S/C14H17NOS/c1-11(16)12-4-2-5-13(10-12)15-8-7-14-6-3-9-17-14/h2-6,9-11,15-16H,7-8H2,1H3
InChIKeyULHRKKKSELQEDS-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.46
Rot. Bonds5

About 1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol

1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol (PubChem CID 83962994) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol
PubChem CID83962994
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol
SMILESCC(O)c1cccc(NCCc2cccs2)c1
InChIInChI=1S/C14H17NOS/c1-11(16)12-4-2-5-13(10-12)15-8-7-14-6-3-9-17-14/h2-6,9-11,15-16H,7-8H2,1H3
InChIKeyULHRKKKSELQEDS-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline
CID 83961408
3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 29299237
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
1-[3-(2-methoxyethylamino)phenyl]ethanol
CID 83962984
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 63775490
1-[3-(6-aminohexylamino)phenyl]ethanol
CID 83962976
(1S)-1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78933301
1-[3-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 43504299
1-[3-(2-aminopropylamino)phenyl]ethanol
CID 83962997
2-(3-propan-2-ylanilino)-1-thiophen-2-ylethanol
CID 60899443
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol?
The IUPAC name of 1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol (CID 83962994) is 1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol.
What is the SMILES notation for 1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol?
The canonical SMILES for 1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol is CC(O)c1cccc(NCCc2cccs2)c1.
What is the InChIKey of 1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol?
The InChIKey is ULHRKKKSELQEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11(16)12-4-2-5-13(10-12)15-8-7-14-6-3-9-17-14/h2-6,9-11,15-16H,7-8H2,1H3.
What are the key properties of 1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol?
1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol has a molecular weight of 247.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol is sourced from PubChem (CID 83962994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).