4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline

C15H14FN5 — CID 62563128

IUPAC4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline
SMILESFc1ccc(NCCn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H14FN5/c16-13-6-8-14(9-7-13)17-10-11-21-19-15(18-20-21)12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKeyNFFBJNVUZXWJAR-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.59
Rot. Bonds5

About 4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline

4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline (PubChem CID 62563128) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline
PubChem CID62563128
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline
SMILESFc1ccc(NCCn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H14FN5/c16-13-6-8-14(9-7-13)17-10-11-21-19-15(18-20-21)12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKeyNFFBJNVUZXWJAR-UHFFFAOYSA-N
XLogP2.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline (CID 62563128) is 4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline is Fc1ccc(NCCn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline?
The InChIKey is NFFBJNVUZXWJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c16-13-6-8-14(9-7-13)17-10-11-21-19-15(18-20-21)12-4-2-1-3-5-12/h1-9,17H,10-11H2.
What are the key properties of 4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline?
4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline has a molecular weight of 283.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline is sourced from PubChem (CID 62563128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).