5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline

C15H14FN5 — CID 102706309

IUPAC5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline
SMILESCc1cc(C)c(-c2nnnn2-c2ccccc2F)cc1N
InChIInChI=1S/C15H14FN5/c1-9-7-10(2)13(17)8-11(9)15-18-19-20-21(15)14-6-4-3-5-12(14)16/h3-8H,17H2,1-2H3
InChIKeyCTFZGMSLHSDMAB-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.67
Rot. Bonds2

About 5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline

5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline (PubChem CID 102706309) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline
PubChem CID102706309
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline
SMILESCc1cc(C)c(-c2nnnn2-c2ccccc2F)cc1N
InChIInChI=1S/C15H14FN5/c1-9-7-10(2)13(17)8-11(9)15-18-19-20-21(15)14-6-4-3-5-12(14)16/h3-8H,17H2,1-2H3
InChIKeyCTFZGMSLHSDMAB-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'}

Analyze 5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline
CID 103298122
2-[1-(2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65454704
3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61376560
2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline
CID 102706325
5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706323
2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline
CID 61353022
4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376415
1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole
CID 73052680
5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378359
3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61352684
2-[1-(2,3-difluorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61376050
2-methyl-4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378361

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline?
The IUPAC name of 5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline (CID 102706309) is 5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline.
What is the SMILES notation for 5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline?
The canonical SMILES for 5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline is Cc1cc(C)c(-c2nnnn2-c2ccccc2F)cc1N.
What is the InChIKey of 5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline?
The InChIKey is CTFZGMSLHSDMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-9-7-10(2)13(17)8-11(9)15-18-19-20-21(15)14-6-4-3-5-12(14)16/h3-8H,17H2,1-2H3.
What are the key properties of 5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline?
5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline 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 5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline is sourced from PubChem (CID 102706309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).