1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol

C14H16ClNOS — CID 60724741

IUPAC1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
SMILESOC(CNCCc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNOS/c15-12-5-3-11(4-6-12)14(17)10-16-8-7-13-2-1-9-18-13/h1-6,9,14,16-17H,7-8,10H2
InChIKeyUPKGPIKXGNENAY-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.27
Rot. Bonds6

About 1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol

1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol (PubChem CID 60724741) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
PubChem CID60724741
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
SMILESOC(CNCCc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNOS/c15-12-5-3-11(4-6-12)14(17)10-16-8-7-13-2-1-9-18-13/h1-6,9,14,16-17H,7-8,10H2
InChIKeyUPKGPIKXGNENAY-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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Related Compounds

(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 93384250
2-[2-(5-bromothiophen-2-yl)ethylamino]-1-(4-chlorophenyl)ethanol
CID 106046807
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60724627
N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 65125134
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
CID 111258351
3-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-phenyl-1-thiophen-2-ylpropan-1-ol
CID 110176233
2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide
CID 106174788
1-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]ethanol
CID 114153912
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 94290696
1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 63773688

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol (CID 60724741) is 1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol is OC(CNCCc1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol?
The InChIKey is UPKGPIKXGNENAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c15-12-5-3-11(4-6-12)14(17)10-16-8-7-13-2-1-9-18-13/h1-6,9,14,16-17H,7-8,10H2.
What are the key properties of 1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol?
1-(4-chlorophenyl)-2-(2-thiophen-2-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-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol is sourced from PubChem (CID 60724741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).