2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol

C14H14F3NO2S — CID 61056618

IUPAC2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOCC(NCc1cccs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO2S/c15-14(16,17)20-11-5-3-10(4-6-11)13(9-19)18-8-12-2-1-7-21-12/h1-7,13,18-19H,8-9H2
InChIKeyVVAJTGHYRNHLLL-UHFFFAOYSA-N
MW317.33 g/mol
LogP3.47
Rot. Bonds6

About 2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol

2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 61056618) has the molecular formula C14H14F3NO2S and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID61056618
Molecular FormulaC14H14F3NO2S
Molecular Weight317.33 g/mol
Exact Mass317.07
IUPAC Name2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOCC(NCc1cccs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO2S/c15-14(16,17)20-11-5-3-10(4-6-11)13(9-19)18-8-12-2-1-7-21-12/h1-7,13,18-19H,8-9H2
InChIKeyVVAJTGHYRNHLLL-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]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

N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65379559
4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol
CID 61054801
[2-thiophen-2-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105295517
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61047319
2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61055835
N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46482581
N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487
2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61048775
(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide
CID 25411323
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63893402
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379558
2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol
CID 61055196

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 61056618) is 2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol is OCC(NCc1cccs1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is VVAJTGHYRNHLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2S/c15-14(16,17)20-11-5-3-10(4-6-11)13(9-19)18-8-12-2-1-7-21-12/h1-7,13,18-19H,8-9H2.
What are the key properties of 2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 317.33 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 61056618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).