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

C14H16ClNOS — CID 11185143

IUPAC1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
SMILESOC(CNCCc1ccsc1)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClNOS/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
InChIKeyYWZCJKFOWHRJOU-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.27
Rot. Bonds6

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

1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol (PubChem CID 11185143) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
PubChem CID11185143
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol
SMILESOC(CNCCc1ccsc1)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClNOS/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
InChIKeyYWZCJKFOWHRJOU-UHFFFAOYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.27
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 1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol (CID 11185143) is 1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol is OC(CNCCc1ccsc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol?
The InChIKey is YWZCJKFOWHRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/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-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol?
1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol has a molecular weight of 281.81 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2-thiophen-3-ylethylamino)ethanol is sourced from PubChem (CID 11185143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).