4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline

C15H14FN5 — CID 71991030

IUPAC4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H14FN5/c1-11(17-13-9-7-12(16)8-10-13)15-18-19-20-21(15)14-5-3-2-4-6-14/h2-11,17H,1H3
InChIKeyOJAAYKGBOSQINP-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.97
Rot. Bonds4

About 4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline

4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline (PubChem CID 71991030) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline
PubChem CID71991030
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H14FN5/c1-11(17-13-9-7-12(16)8-10-13)15-18-19-20-21(15)14-5-3-2-4-6-14/h2-11,17H,1H3
InChIKeyOJAAYKGBOSQINP-UHFFFAOYSA-N
XLogP2.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline?
The IUPAC name of 4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline (CID 71991030) is 4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline is CC(Nc1ccc(F)cc1)c1nnnn1-c1ccccc1.
What is the InChIKey of 4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline?
The InChIKey is OJAAYKGBOSQINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-11(17-13-9-7-12(16)8-10-13)15-18-19-20-21(15)14-5-3-2-4-6-14/h2-11,17H,1H3.
What are the key properties of 4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline?
4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline has a molecular weight of 283.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 71991030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).