1-(4-aminophenyl)-1-pyridin-4-ylethanol

C13H14N2O — CID 171824438

IUPAC1-(4-aminophenyl)-1-pyridin-4-ylethanol
SMILESCC(O)(c1ccncc1)c1ccc(N)cc1
InChIInChI=1S/C13H14N2O/c1-13(16,11-6-8-15-9-7-11)10-2-4-12(14)5-3-10/h2-9,16H,14H2,1H3
InChIKeyCURABEFVFHMVGO-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.92
Rot. Bonds2

About 1-(4-aminophenyl)-1-pyridin-4-ylethanol

1-(4-aminophenyl)-1-pyridin-4-ylethanol (PubChem CID 171824438) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(4-aminophenyl)-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-1-pyridin-4-ylethanol
PubChem CID171824438
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(4-aminophenyl)-1-pyridin-4-ylethanol
SMILESCC(O)(c1ccncc1)c1ccc(N)cc1
InChIInChI=1S/C13H14N2O/c1-13(16,11-6-8-15-9-7-11)10-2-4-12(14)5-3-10/h2-9,16H,14H2,1H3
InChIKeyCURABEFVFHMVGO-UHFFFAOYSA-N
XLogP1.92
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.92
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-(4-aminophenyl)-1-pyridin-4-ylethanol?
The IUPAC name of 1-(4-aminophenyl)-1-pyridin-4-ylethanol (CID 171824438) is 1-(4-aminophenyl)-1-pyridin-4-ylethanol.
What is the SMILES notation for 1-(4-aminophenyl)-1-pyridin-4-ylethanol?
The canonical SMILES for 1-(4-aminophenyl)-1-pyridin-4-ylethanol is CC(O)(c1ccncc1)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-1-pyridin-4-ylethanol?
The InChIKey is CURABEFVFHMVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-13(16,11-6-8-15-9-7-11)10-2-4-12(14)5-3-10/h2-9,16H,14H2,1H3.
What are the key properties of 1-(4-aminophenyl)-1-pyridin-4-ylethanol?
1-(4-aminophenyl)-1-pyridin-4-ylethanol has a molecular weight of 214.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 171824438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).