4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol

C13H15NO2S — CID 61054801

IUPAC4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol
SMILESOCC(NCc1cccs1)c1ccc(O)cc1
InChIInChI=1S/C13H15NO2S/c15-9-13(10-3-5-11(16)6-4-10)14-8-12-2-1-7-17-12/h1-7,13-16H,8-9H2
InChIKeyGZOMAJVQFPONCN-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.28
Rot. Bonds5

About 4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol

4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol (PubChem CID 61054801) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol
PubChem CID61054801
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol
SMILESOCC(NCc1cccs1)c1ccc(O)cc1
InChIInChI=1S/C13H15NO2S/c15-9-13(10-3-5-11(16)6-4-10)14-8-12-2-1-7-17-12/h1-7,13-16H,8-9H2
InChIKeyGZOMAJVQFPONCN-UHFFFAOYSA-N
XLogP2.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61056618
2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol
CID 61055196
2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol
CID 105379249
2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol
CID 61054191
amino-(thiophen-2-ylmethylamino)methanol
CID 138478180
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379558
1,2-diphenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43079612
1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 115654583
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 109379632
N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65379559
1-(4-bromo-3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81437460
(2R)-2-phenyl-2-(thiophen-3-ylmethylamino)ethanol
CID 103766360

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol?
The IUPAC name of 4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol (CID 61054801) is 4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol?
The canonical SMILES for 4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol is OCC(NCc1cccs1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol?
The InChIKey is GZOMAJVQFPONCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c15-9-13(10-3-5-11(16)6-4-10)14-8-12-2-1-7-17-12/h1-7,13-16H,8-9H2.
What are the key properties of 4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol?
4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol has a molecular weight of 249.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 61054801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).