3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline

C15H14FN5O — CID 84759819

IUPAC3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline
SMILESNc1cccc(OCCn2nnnc2-c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FN5O/c16-12-6-4-11(5-7-12)15-18-19-20-21(15)8-9-22-14-3-1-2-13(17)10-14/h1-7,10H,8-9,17H2
InChIKeyWQTWSYCDPCUAFI-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.14
Rot. Bonds5

About 3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline

3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline (PubChem CID 84759819) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline.

Molecular Properties

Compound Name3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline
PubChem CID84759819
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline
SMILESNc1cccc(OCCn2nnnc2-c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FN5O/c16-12-6-4-11(5-7-12)15-18-19-20-21(15)8-9-22-14-3-1-2-13(17)10-14/h1-7,10H,8-9,17H2
InChIKeyWQTWSYCDPCUAFI-UHFFFAOYSA-N
XLogP2.14
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline?
The IUPAC name of 3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline (CID 84759819) is 3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline.
What is the SMILES notation for 3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline?
The canonical SMILES for 3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline is Nc1cccc(OCCn2nnnc2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline?
The InChIKey is WQTWSYCDPCUAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-12-6-4-11(5-7-12)15-18-19-20-21(15)8-9-22-14-3-1-2-13(17)10-14/h1-7,10H,8-9,17H2.
What are the key properties of 3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline?
3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline has a molecular weight of 299.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(4-fluorophenyl)tetrazol-1-yl]ethoxy]aniline is sourced from PubChem (CID 84759819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).