1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol

C14H14N4O — CID 15959245

IUPAC1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol
SMILESNc1ccc(C(O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C14H14N4O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8,14,19H,9,15H2
InChIKeyOBFQUALJHCJLCJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.75
Rot. Bonds3

About 1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol

1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol (PubChem CID 15959245) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol
PubChem CID15959245
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol
SMILESNc1ccc(C(O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C14H14N4O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8,14,19H,9,15H2
InChIKeyOBFQUALJHCJLCJ-UHFFFAOYSA-N
XLogP1.75
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-2-(benzotriazol-1-yl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol (CID 15959245) is 1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol is Nc1ccc(C(O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol?
The InChIKey is OBFQUALJHCJLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8,14,19H,9,15H2.
What are the key properties of 1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol?
1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol has a molecular weight of 254.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(benzotriazol-1-yl)ethanol is sourced from PubChem (CID 15959245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).