1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol

C14H16FNOS — CID 54953089

IUPAC1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
SMILESOC(CNCCc1ccsc1)c1cccc(F)c1
InChIInChI=1S/C14H16FNOS/c15-13-3-1-2-12(8-13)14(17)9-16-6-4-11-5-7-18-10-11/h1-3,5,7-8,10,14,16-17H,4,6,9H2
InChIKeyQJDGHOMPSBABFQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.75
Rot. Bonds6

About 1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol

1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol (PubChem CID 54953089) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
PubChem CID54953089
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
SMILESOC(CNCCc1ccsc1)c1cccc(F)c1
InChIInChI=1S/C14H16FNOS/c15-13-3-1-2-12(8-13)14(17)9-16-6-4-11-5-7-18-10-11/h1-3,5,7-8,10,14,16-17H,4,6,9H2
InChIKeyQJDGHOMPSBABFQ-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

Suloctidil
CID 6604413
4-((1-Methylethyl)thio)-alpha-(1-(octylamino)ethyl)benzenemethanol
CID 5354
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CID 3033341
1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol
CID 2809735
2-[(5-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6461664
Suloctidil (USAN/INN)
CID 657255
(1S,2S)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
CID 9884251
6-(benzylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-4-ol
CID 155539094
[6-(3-phenylpropylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]methanol
CID 156012082
[6-(4-phenylbutylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]methanol
CID 156018602
2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6473033
Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-((1-methylethyl)thio)-, hydrochloride
CID 3041714

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol (CID 54953089) is 1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol is OC(CNCCc1ccsc1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol?
The InChIKey is QJDGHOMPSBABFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c15-13-3-1-2-12(8-13)14(17)9-16-6-4-11-5-7-18-10-11/h1-3,5,7-8,10,14,16-17H,4,6,9H2.
What are the key properties of 1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol?
1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol 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 1-(3-fluorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol is sourced from PubChem (CID 54953089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).