1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol

C12H17NO2 — CID 115025222

IUPAC1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol
SMILESCC(O)(c1cccc(N)c1)C1CCOC1
InChIInChI=1S/C12H17NO2/c1-12(14,10-5-6-15-8-10)9-3-2-4-11(13)7-9/h2-4,7,10,14H,5-6,8,13H2,1H3
InChIKeyWPJIQOPZBWETGX-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.51
Rot. Bonds2

About 1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol

1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol (PubChem CID 115025222) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol
PubChem CID115025222
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol
SMILESCC(O)(c1cccc(N)c1)C1CCOC1
InChIInChI=1S/C12H17NO2/c1-12(14,10-5-6-15-8-10)9-3-2-4-11(13)7-9/h2-4,7,10,14H,5-6,8,13H2,1H3
InChIKeyWPJIQOPZBWETGX-UHFFFAOYSA-N
XLogP1.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.51
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-(3-aminophenyl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol (CID 115025222) is 1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol is CC(O)(c1cccc(N)c1)C1CCOC1.
What is the InChIKey of 1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol?
The InChIKey is WPJIQOPZBWETGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(14,10-5-6-15-8-10)9-3-2-4-11(13)7-9/h2-4,7,10,14H,5-6,8,13H2,1H3.
What are the key properties of 1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol?
1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol has a molecular weight of 207.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 115025222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).