4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline

C14H12FN5 — CID 1463675

IUPAC4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
SMILESNc1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C14H12FN5/c15-12-5-1-10(2-6-12)9-20-18-14(17-19-20)11-3-7-13(16)8-4-11/h1-8H,9,16H2
InChIKeyBBHNKELXGNPGJU-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.11
Rot. Bonds3

About 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline

4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline (PubChem CID 1463675) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
PubChem CID1463675
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC Name4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
SMILESNc1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C14H12FN5/c15-12-5-1-10(2-6-12)9-20-18-14(17-19-20)11-3-7-13(16)8-4-11/h1-8H,9,16H2
InChIKeyBBHNKELXGNPGJU-UHFFFAOYSA-N
XLogP2.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.11
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-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 119053620
4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]benzonitrile
CID 7713290
4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 135357638
3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine
CID 16763011
2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16610877
4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 61352207
3-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 119053622
5-(4-bromophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole
CID 7490503
2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465665
4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 552573
methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate
CID 7987708
5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 7490330

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline (CID 1463675) is 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline is Nc1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is BBHNKELXGNPGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c15-12-5-1-10(2-6-12)9-20-18-14(17-19-20)11-3-7-13(16)8-4-11/h1-8H,9,16H2.
What are the key properties of 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline?
4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 269.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 1463675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).