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

C15H14FN5 — CID 61377726

IUPAC3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1ccc(-n2nnnc2-c2cccc(N)c2C)cc1F
InChIInChI=1S/C15H14FN5/c1-9-6-7-11(8-13(9)16)21-15(18-19-20-21)12-4-3-5-14(17)10(12)2/h3-8H,17H2,1-2H3
InChIKeyRJEYRHUDSBCSTA-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.67
Rot. Bonds2

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

3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline (PubChem CID 61377726) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
PubChem CID61377726
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1ccc(-n2nnnc2-c2cccc(N)c2C)cc1F
InChIInChI=1S/C15H14FN5/c1-9-6-7-11(8-13(9)16)21-15(18-19-20-21)12-4-3-5-14(17)10(12)2/h3-8H,17H2,1-2H3
InChIKeyRJEYRHUDSBCSTA-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

3-[1-(3-bromo-4-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 104781310
4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline
CID 61378117
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107616314
4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
CID 61377538
3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
CID 61376410
2-chloro-3-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115936231
2-chloro-6-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115547966
2-[1-(4-bromo-3-fluorophenyl)tetrazol-5-yl]-3-methylaniline
CID 65436222
2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline
CID 61353418
2-chloro-6-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 115547943
2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline
CID 115936156
2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline?
The IUPAC name of 3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline (CID 61377726) is 3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline.
What is the SMILES notation for 3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline?
The canonical SMILES for 3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline is Cc1ccc(-n2nnnc2-c2cccc(N)c2C)cc1F.
What is the InChIKey of 3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline?
The InChIKey is RJEYRHUDSBCSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-9-6-7-11(8-13(9)16)21-15(18-19-20-21)12-4-3-5-14(17)10(12)2/h3-8H,17H2,1-2H3.
What are the key properties of 3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline?
3-[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 3-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline is sourced from PubChem (CID 61377726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).