3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline

C15H14FN5 — CID 79047538

IUPAC3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline
SMILESCc1cc(F)cc(-n2nnnc2-c2cc(N)ccc2C)c1
InChIInChI=1S/C15H14FN5/c1-9-5-11(16)7-13(6-9)21-15(18-19-20-21)14-8-12(17)4-3-10(14)2/h3-8H,17H2,1-2H3
InChIKeyHAISEBXJIYSFJG-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.67
Rot. Bonds2

About 3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline

3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline (PubChem CID 79047538) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline.

Molecular Properties

Compound Name3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline
PubChem CID79047538
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline
SMILESCc1cc(F)cc(-n2nnnc2-c2cc(N)ccc2C)c1
InChIInChI=1S/C15H14FN5/c1-9-5-11(16)7-13(6-9)21-15(18-19-20-21)14-8-12(17)4-3-10(14)2/h3-8H,17H2,1-2H3
InChIKeyHAISEBXJIYSFJG-UHFFFAOYSA-N
XLogP2.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
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 3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline?
The IUPAC name of 3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline (CID 79047538) is 3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline.
What is the SMILES notation for 3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline?
The canonical SMILES for 3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline is Cc1cc(F)cc(-n2nnnc2-c2cc(N)ccc2C)c1.
What is the InChIKey of 3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline?
The InChIKey is HAISEBXJIYSFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-9-5-11(16)7-13(6-9)21-15(18-19-20-21)14-8-12(17)4-3-10(14)2/h3-8H,17H2,1-2H3.
What are the key properties of 3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline?
3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline has a molecular weight of 283.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline is sourced from PubChem (CID 79047538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).