2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline

C15H18FN5 — CID 63684284

IUPAC2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1nnnn1CC1CC2CCC1C2
InChIInChI=1S/C15H18FN5/c16-12-3-4-14(17)13(7-12)15-18-19-20-21(15)8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8,17H2
InChIKeyUTACIPZAXHTZRH-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.50
Rot. Bonds3

About 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline

2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline (PubChem CID 63684284) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline
PubChem CID63684284
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline
SMILESNc1ccc(F)cc1-c1nnnn1CC1CC2CCC1C2
InChIInChI=1S/C15H18FN5/c16-12-3-4-14(17)13(7-12)15-18-19-20-21(15)8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8,17H2
InChIKeyUTACIPZAXHTZRH-UHFFFAOYSA-N
XLogP2.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.50
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

2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 61351666
4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline
CID 63686295
4-fluoro-2-(1-propyltetrazol-5-yl)aniline
CID 61376378
4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
CID 102907806
4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 106003099
2-[1-(3-ethoxypropyl)tetrazol-5-yl]-4-fluoroaniline
CID 61378138
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine
CID 79550838
2-[1-(3-ethyl-2-methylcyclopentyl)tetrazol-5-yl]-4-fluoroaniline
CID 64914665
2-[1-[(1,1-dioxothiolan-3-yl)methyl]tetrazol-5-yl]-4-methylaniline
CID 65454521
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine
CID 79549769
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]methyl]propan-1-amine
CID 63686121
N-(2-amino-5-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63256940

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline (CID 63684284) is 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline is Nc1ccc(F)cc1-c1nnnn1CC1CC2CCC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline?
The InChIKey is UTACIPZAXHTZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c16-12-3-4-14(17)13(7-12)15-18-19-20-21(15)8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8,17H2.
What are the key properties of 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline?
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline has a molecular weight of 287.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline is sourced from PubChem (CID 63684284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).