1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol

C14H14F3NOS — CID 2738524

IUPAC1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol
SMILESOC(CNCc1ccc(-c2cccs2)cc1)C(F)(F)F
InChIInChI=1S/C14H14F3NOS/c15-14(16,17)13(19)9-18-8-10-3-5-11(6-4-10)12-2-1-7-20-12/h1-7,13,18-19H,8-9H2
InChIKeyUHVRVMDHJOPGRP-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.43
Rot. Bonds5

About 1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol (PubChem CID 2738524) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol
PubChem CID2738524
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol
SMILESOC(CNCc1ccc(-c2cccs2)cc1)C(F)(F)F
InChIInChI=1S/C14H14F3NOS/c15-14(16,17)13(19)9-18-8-10-3-5-11(6-4-10)12-2-1-7-20-12/h1-7,13,18-19H,8-9H2
InChIKeyUHVRVMDHJOPGRP-UHFFFAOYSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol with MolForge

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Related Compounds

3-(1-Benzothiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 2738523
2-[Benzyl(3-thienylmethyl)amino]ethanol
CID 23910978
2-(Benzylamino)-1-(thiophen-2-yl)ethan-1-ol
CID 10922435
2-[Benzyl(thiophen-2-ylmethyl)amino]ethanol
CID 782513
(1S)-2-(benzylamino)-1-thiophen-2-ylethanol
CID 39334632
1-[(4-Fluorobenzyl)(3-thienylmethyl)amino]-5-hexen-2-ol
CID 46007301
1-[(4-Fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol
CID 46007798
(1R)-2-(benzylamino)-1-thiophen-3-ylethanol
CID 94592511
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
CID 58591409
4-(3,5-Difluorophenyl)-1-[[1-(5-propan-2-ylthiophen-3-yl)cyclohexyl]amino]butan-2-ol
CID 59599248
4-(3,5-Difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
CID 59599265
4-(3,5-Difluorophenyl)-1-[[1-(5-ethylthiophen-3-yl)cyclohexyl]amino]butan-2-ol
CID 59599296

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol (CID 2738524) is 1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol is OC(CNCc1ccc(-c2cccs2)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol?
The InChIKey is UHVRVMDHJOPGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c15-14(16,17)13(19)9-18-8-10-3-5-11(6-4-10)12-2-1-7-20-12/h1-7,13,18-19H,8-9H2.
What are the key properties of 1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol has a molecular weight of 301.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 2738524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).