1-(2-aminophenyl)-2-(furan-3-yl)ethanol

C12H13NO2 — CID 83173107

IUPAC1-(2-aminophenyl)-2-(furan-3-yl)ethanol
SMILESNc1ccccc1C(O)Cc1ccoc1
InChIInChI=1S/C12H13NO2/c13-11-4-2-1-3-10(11)12(14)7-9-5-6-15-8-9/h1-6,8,12,14H,7,13H2
InChIKeyWILJAWFZRJQLKB-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.14
Rot. Bonds3

About 1-(2-aminophenyl)-2-(furan-3-yl)ethanol

1-(2-aminophenyl)-2-(furan-3-yl)ethanol (PubChem CID 83173107) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(furan-3-yl)ethanol
PubChem CID83173107
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(2-aminophenyl)-2-(furan-3-yl)ethanol
SMILESNc1ccccc1C(O)Cc1ccoc1
InChIInChI=1S/C12H13NO2/c13-11-4-2-1-3-10(11)12(14)7-9-5-6-15-8-9/h1-6,8,12,14H,7,13H2
InChIKeyWILJAWFZRJQLKB-UHFFFAOYSA-N
XLogP2.14
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(furan-3-yl)ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-(furan-3-yl)ethanol (CID 83173107) is 1-(2-aminophenyl)-2-(furan-3-yl)ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-(furan-3-yl)ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-(furan-3-yl)ethanol is Nc1ccccc1C(O)Cc1ccoc1.
What is the InChIKey of 1-(2-aminophenyl)-2-(furan-3-yl)ethanol?
The InChIKey is WILJAWFZRJQLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-11-4-2-1-3-10(11)12(14)7-9-5-6-15-8-9/h1-6,8,12,14H,7,13H2.
What are the key properties of 1-(2-aminophenyl)-2-(furan-3-yl)ethanol?
1-(2-aminophenyl)-2-(furan-3-yl)ethanol has a molecular weight of 203.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(furan-3-yl)ethanol is sourced from PubChem (CID 83173107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).