2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol

C14H16FNOS — CID 55038725

IUPAC2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol
SMILESCc1cc(F)ccc1C(CO)NCc1cccs1
InChIInChI=1S/C14H16FNOS/c1-10-7-11(15)4-5-13(10)14(9-17)16-8-12-3-2-6-18-12/h2-7,14,16-17H,8-9H2,1H3
InChIKeyYQVMVIULFFTCGR-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.02
Rot. Bonds5

About 2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol

2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol (PubChem CID 55038725) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol
PubChem CID55038725
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol
SMILESCc1cc(F)ccc1C(CO)NCc1cccs1
InChIInChI=1S/C14H16FNOS/c1-10-7-11(15)4-5-13(10)14(9-17)16-8-12-3-2-6-18-12/h2-7,14,16-17H,8-9H2,1H3
InChIKeyYQVMVIULFFTCGR-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol (CID 55038725) is 2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol is Cc1cc(F)ccc1C(CO)NCc1cccs1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol?
The InChIKey is YQVMVIULFFTCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-10-7-11(15)4-5-13(10)14(9-17)16-8-12-3-2-6-18-12/h2-7,14,16-17H,8-9H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol?
2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol has a molecular weight of 265.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylamino)ethanol is sourced from PubChem (CID 55038725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).