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

C15H14FN5 — CID 61377538

IUPAC4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1cc(-c2nnnn2-c2ccc(C)c(F)c2)ccc1N
InChIInChI=1S/C15H14FN5/c1-9-3-5-12(8-13(9)16)21-15(18-19-20-21)11-4-6-14(17)10(2)7-11/h3-8H,17H2,1-2H3
InChIKeyKENKERTYZXUFMC-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.67
Rot. Bonds2

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

4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline (PubChem CID 61377538) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
PubChem CID61377538
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1cc(-c2nnnn2-c2ccc(C)c(F)c2)ccc1N
InChIInChI=1S/C15H14FN5/c1-9-3-5-12(8-13(9)16)21-15(18-19-20-21)11-4-6-14(17)10(2)7-11/h3-8H,17H2,1-2H3
InChIKeyKENKERTYZXUFMC-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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Related Compounds

4-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 63334862
4-[1-(4-bromo-3-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62683011
4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline
CID 61378117
5-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61377778
4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107370344
3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
CID 61377726
2-methyl-4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378361
4-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62682445
5-[1-(3-bromophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 61354039
4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62681355
2-[1-(4-bromo-3-fluorophenyl)tetrazol-5-yl]-3-methylaniline
CID 65436222
5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 61353255

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline?
The IUPAC name of 4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline (CID 61377538) is 4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline.
What is the SMILES notation for 4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline?
The canonical SMILES for 4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline is Cc1cc(-c2nnnn2-c2ccc(C)c(F)c2)ccc1N.
What is the InChIKey of 4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline?
The InChIKey is KENKERTYZXUFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-9-3-5-12(8-13(9)16)21-15(18-19-20-21)11-4-6-14(17)10(2)7-11/h3-8H,17H2,1-2H3.
What are the key properties of 4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline?
4-[1-(3-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 4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline is sourced from PubChem (CID 61377538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).