3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline

C15H14FN5 — CID 61376410

IUPAC3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1ccc(-n2nnnc2-c2cccc(N)c2C)c(F)c1
InChIInChI=1S/C15H14FN5/c1-9-6-7-14(12(16)8-9)21-15(18-19-20-21)11-4-3-5-13(17)10(11)2/h3-8H,17H2,1-2H3
InChIKeyLUUYTHJEDZHKJT-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.67
Rot. Bonds2

About 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline

3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline (PubChem CID 61376410) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
PubChem CID61376410
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1ccc(-n2nnnc2-c2cccc(N)c2C)c(F)c1
InChIInChI=1S/C15H14FN5/c1-9-6-7-14(12(16)8-9)21-15(18-19-20-21)11-4-3-5-13(17)10(11)2/h3-8H,17H2,1-2H3
InChIKeyLUUYTHJEDZHKJT-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-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline?
The IUPAC name of 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline (CID 61376410) is 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline.
What is the SMILES notation for 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline?
The canonical SMILES for 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline is Cc1ccc(-n2nnnc2-c2cccc(N)c2C)c(F)c1.
What is the InChIKey of 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline?
The InChIKey is LUUYTHJEDZHKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-9-6-7-14(12(16)8-9)21-15(18-19-20-21)11-4-3-5-13(17)10(11)2/h3-8H,17H2,1-2H3.
What are the key properties of 3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline?
3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-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-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline is sourced from PubChem (CID 61376410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).