2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol

C14H16FNOS — CID 54938394

IUPAC2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol
SMILESOC(CNCCc1cccc(F)c1)c1cccs1
InChIInChI=1S/C14H16FNOS/c15-12-4-1-3-11(9-12)6-7-16-10-13(17)14-5-2-8-18-14/h1-5,8-9,13,16-17H,6-7,10H2
InChIKeyWWUYAWXBNXNKFE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.75
Rot. Bonds6

About 2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol

2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol (PubChem CID 54938394) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol
PubChem CID54938394
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol
SMILESOC(CNCCc1cccc(F)c1)c1cccs1
InChIInChI=1S/C14H16FNOS/c15-12-4-1-3-11(9-12)6-7-16-10-13(17)14-5-2-8-18-14/h1-5,8-9,13,16-17H,6-7,10H2
InChIKeyWWUYAWXBNXNKFE-UHFFFAOYSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.75
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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Related Compounds

Benzenemethanol, alpha-(1-((3,3-di-3-thienyl-2-propenyl)amino)ethyl)-, (R-(R*,S*))-
CID 3033341
1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol
CID 2809735
2-[(5-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6461664
2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6473033
(Piperidin-4-yl)(thiophen-2-yl)methanol
CID 24261114
1-Phenylmethoxy-3-(2-thiophen-2-ylethylamino)propan-2-ol
CID 44427654
Benzo(b)thiophene-3-methanol, alpha-(pyrrolidinomethyl)-, hydrochloride
CID 23800
1-(1-Benzothiophen-3-yl)-2-(piperidin-1-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 23864
2-Thiophenemethanol, alpha-(1-(isopropylamino)ethyl)-, hydrochloride
CID 208074
2-Thiophenemethanol, alpha-(1-(isobutylamino)ethyl)-, hydrochloride
CID 208076
2-Thiophenemethanol, alpha-(1-(tert-butylamino)ethyl)-, hydrochloride
CID 208078
2-Thiophenemethanol, alpha-(1-(sec-butylamino)ethyl)-, hydrochloride
CID 208080

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol (CID 54938394) is 2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol is OC(CNCCc1cccc(F)c1)c1cccs1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol?
The InChIKey is WWUYAWXBNXNKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c15-12-4-1-3-11(9-12)6-7-16-10-13(17)14-5-2-8-18-14/h1-5,8-9,13,16-17H,6-7,10H2.
What are the key properties of 2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol?
2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol has a molecular weight of 265.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethylamino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 54938394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).