2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol

C15H17F2NO2S — CID 111467090

IUPAC2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1ccc(OCC(F)F)cc1)c1ccsc1
InChIInChI=1S/C15H17F2NO2S/c16-15(17)9-20-13-3-1-11(2-4-13)7-18-8-14(19)12-5-6-21-10-12/h1-6,10,14-15,18-19H,7-9H2
InChIKeyURVSXWHWZUYVCQ-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.22
Rot. Bonds8

About 2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol

2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol (PubChem CID 111467090) has the molecular formula C15H17F2NO2S and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol
PubChem CID111467090
Molecular FormulaC15H17F2NO2S
Molecular Weight313.37 g/mol
Exact Mass313.09
IUPAC Name2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1ccc(OCC(F)F)cc1)c1ccsc1
InChIInChI=1S/C15H17F2NO2S/c16-15(17)9-20-13-3-1-11(2-4-13)7-18-8-14(19)12-5-6-21-10-12/h1-6,10,14-15,18-19H,7-9H2
InChIKeyURVSXWHWZUYVCQ-UHFFFAOYSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol 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

2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol
CID 103685294
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014
2-fluoro-5-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]benzonitrile
CID 106434833
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 106434750
(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
CID 8621628
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 103823528
1-(4-ethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841185

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol (CID 111467090) is 2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol is OC(CNCc1ccc(OCC(F)F)cc1)c1ccsc1.
What is the InChIKey of 2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol?
The InChIKey is URVSXWHWZUYVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2S/c16-15(17)9-20-13-3-1-11(2-4-13)7-18-8-14(19)12-5-6-21-10-12/h1-6,10,14-15,18-19H,7-9H2.
What are the key properties of 2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol?
2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol has a molecular weight of 313.37 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 111467090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).