1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol

C16H18F3NO2S — CID 111425264

IUPAC1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol
SMILESCOCC(O)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C16H18F3NO2S/c1-22-10-13(21)8-20-9-14-6-7-15(23-14)11-2-4-12(5-3-11)16(17,18)19/h2-7,13,20-21H,8-10H2,1H3
InChIKeyPILATNDLUYKNKL-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.53
Rot. Bonds7

About 1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol

1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol (PubChem CID 111425264) has the molecular formula C16H18F3NO2S and a molecular weight of 345.39 g/mol. Its IUPAC name is 1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol
PubChem CID111425264
Molecular FormulaC16H18F3NO2S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC Name1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol
SMILESCOCC(O)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C16H18F3NO2S/c1-22-10-13(21)8-20-9-14-6-7-15(23-14)11-2-4-12(5-3-11)16(17,18)19/h2-7,13,20-21H,8-10H2,1H3
InChIKeyPILATNDLUYKNKL-UHFFFAOYSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol 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

3-(1-Benzothiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 2738523
1,1,1-Trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol
CID 2738524
1-[(4-Fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 24713509
1-[(4-Fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 24713721
[(4-Fluorophenyl)methyl][2-hydroxy-3-(2-methylpropoxy)propyl][(thiophen-3-YL)methyl]amine
CID 46007300
1-[(4-Fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46007795
(2S)-4-(3,5-difluorophenyl)-1-[[1-(5-prop-1-en-2-ylthiophen-2-yl)cyclohexyl]amino]butan-2-ol
CID 70332978
4,4-Difluoro-4-phenyl-1-(thiophen-2-ylmethylamino)butan-2-ol
CID 123873360
(2S)-4-(3,5-difluorophenyl)-1-[[1-(5-ethylthiophen-2-yl)cyclohexyl]amino]butan-2-ol
CID 143107805
2-[[3-sulfanyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]methylamino]propan-1-ol
CID 143828666
2-[[4-Fluoro-2-(5-methylthiophen-2-yl)phenyl]methylamino]ethanol
CID 169656802
2-[(4-Thiophen-2-ylphenyl)methylamino]ethanol
CID 90788245

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol (CID 111425264) is 1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol is COCC(O)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol?
The InChIKey is PILATNDLUYKNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO2S/c1-22-10-13(21)8-20-9-14-6-7-15(23-14)11-2-4-12(5-3-11)16(17,18)19/h2-7,13,20-21H,8-10H2,1H3.
What are the key properties of 1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol?
1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol has a molecular weight of 345.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 111425264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).