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

C14H12FN5 — CID 61376405

IUPAC4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-n2nnnc2-c2cc(F)ccc2N)c1
InChIInChI=1S/C14H12FN5/c1-9-3-2-4-11(7-9)20-14(17-18-19-20)12-8-10(15)5-6-13(12)16/h2-8H,16H2,1H3
InChIKeyYYJDPDPDRGAIHR-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.36
Rot. Bonds2

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

4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 61376405) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline
PubChem CID61376405
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC Name4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-n2nnnc2-c2cc(F)ccc2N)c1
InChIInChI=1S/C14H12FN5/c1-9-3-2-4-11(7-9)20-14(17-18-19-20)12-8-10(15)5-6-13(12)16/h2-8H,16H2,1H3
InChIKeyYYJDPDPDRGAIHR-UHFFFAOYSA-N
XLogP2.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.36
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-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline
CID 61378117
2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201
2-[1-(2,3-difluorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61376050
2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65454889
2-[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61354257
4-fluoro-2-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61351479
3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61352817
2-[1-(2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65454704
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61352223
2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline
CID 61353418
2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61376804
4-fluoro-2-(1-propyltetrazol-5-yl)aniline
CID 61376378

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline (CID 61376405) is 4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline is Cc1cccc(-n2nnnc2-c2cc(F)ccc2N)c1.
What is the InChIKey of 4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is YYJDPDPDRGAIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c1-9-3-2-4-11(7-9)20-14(17-18-19-20)12-8-10(15)5-6-13(12)16/h2-8H,16H2,1H3.
What are the key properties of 4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline?
4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 269.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61376405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).