2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol

C15H16F3NOS — CID 60900477

IUPAC2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCCc1cccs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NOS/c16-15(17,18)12-5-3-11(4-6-12)14(20)10-19-8-7-13-2-1-9-21-13/h1-6,9,14,19-20H,7-8,10H2
InChIKeyXIEXCKHNINTVBL-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.63
Rot. Bonds6

About 2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 60900477) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID60900477
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC Name2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCCc1cccs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NOS/c16-15(17,18)12-5-3-11(4-6-12)14(20)10-19-8-7-13-2-1-9-21-13/h1-6,9,14,19-20H,7-8,10H2
InChIKeyXIEXCKHNINTVBL-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 60900477) is 2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(CNCCc1cccs1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is XIEXCKHNINTVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c16-15(17,18)12-5-3-11(4-6-12)14(20)10-19-8-7-13-2-1-9-21-13/h1-6,9,14,19-20H,7-8,10H2.
What are the key properties of 2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 315.36 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60900477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).