1-(3-aminophenyl)-2-thiophen-2-ylethanol

C12H13NOS — CID 106695892

IUPAC1-(3-aminophenyl)-2-thiophen-2-ylethanol
SMILESNc1cccc(C(O)Cc2cccs2)c1
InChIInChI=1S/C12H13NOS/c13-10-4-1-3-9(7-10)12(14)8-11-5-2-6-15-11/h1-7,12,14H,8,13H2
InChIKeyOSENACBCACOONS-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.61
Rot. Bonds3

About 1-(3-aminophenyl)-2-thiophen-2-ylethanol

1-(3-aminophenyl)-2-thiophen-2-ylethanol (PubChem CID 106695892) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-thiophen-2-ylethanol
PubChem CID106695892
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name1-(3-aminophenyl)-2-thiophen-2-ylethanol
SMILESNc1cccc(C(O)Cc2cccs2)c1
InChIInChI=1S/C12H13NOS/c13-10-4-1-3-9(7-10)12(14)8-11-5-2-6-15-11/h1-7,12,14H,8,13H2
InChIKeyOSENACBCACOONS-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol
CID 55055156
1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
CID 107502914
1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803
1-(5-chlorothiophen-3-yl)-2-thiophen-2-ylethanol
CID 130767599
1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 62607449
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
1-(4-phenylphenyl)-2-thiophen-2-ylethanol
CID 65148567
1-phenyl-3-thiophen-2-ylpropane-1,2-diol
CID 103459541
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951
5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 82174352
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
4-(1-hydroxy-2-thiophen-2-ylethyl)benzonitrile
CID 115481022

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(3-aminophenyl)-2-thiophen-2-ylethanol (CID 106695892) is 1-(3-aminophenyl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-thiophen-2-ylethanol is Nc1cccc(C(O)Cc2cccs2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-thiophen-2-ylethanol?
The InChIKey is OSENACBCACOONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c13-10-4-1-3-9(7-10)12(14)8-11-5-2-6-15-11/h1-7,12,14H,8,13H2.
What are the key properties of 1-(3-aminophenyl)-2-thiophen-2-ylethanol?
1-(3-aminophenyl)-2-thiophen-2-ylethanol has a molecular weight of 219.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 106695892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).