2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol

C14H17NO2S — CID 17213242

IUPAC2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol
SMILESOCCOc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C14H17NO2S/c16-7-8-17-13-5-3-12(4-6-13)10-15-11-14-2-1-9-18-14/h1-6,9,15-16H,7-8,10-11H2
InChIKeyBGSLITXADJIUPF-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.41
Rot. Bonds7

About 2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol

2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol (PubChem CID 17213242) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol
PubChem CID17213242
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol
SMILESOCCOc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C14H17NO2S/c16-7-8-17-13-5-3-12(4-6-13)10-15-11-14-2-1-9-18-14/h1-6,9,15-16H,7-8,10-11H2
InChIKeyBGSLITXADJIUPF-UHFFFAOYSA-N
XLogP2.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
CID 83962635
1-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798957
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290311
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290312
1-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258280
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
CID 8621628
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol (CID 17213242) is 2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol is OCCOc1ccc(CNCc2cccs2)cc1.
What is the InChIKey of 2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol?
The InChIKey is BGSLITXADJIUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-7-8-17-13-5-3-12(4-6-13)10-15-11-14-2-1-9-18-14/h1-6,9,15-16H,7-8,10-11H2.
What are the key properties of 2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol?
2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol has a molecular weight of 263.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol is sourced from PubChem (CID 17213242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).