1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine

C16H16FN5 — CID 88542357

IUPAC1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine
SMILESCc1cc(F)c(C(C)N)c(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H16FN5/c1-9-8-12(17)14(10(2)18)15(11-6-4-3-5-7-11)13(9)16-19-21-22-20-16/h3-8,10H,18H2,1-2H3,(H,19,20,21,22)
InChIKeyLBZHHIICNNEPQG-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.00
Rot. Bonds3

About 1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine

1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine (PubChem CID 88542357) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine
PubChem CID88542357
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine
SMILESCc1cc(F)c(C(C)N)c(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H16FN5/c1-9-8-12(17)14(10(2)18)15(11-6-4-3-5-7-11)13(9)16-19-21-22-20-16/h3-8,10H,18H2,1-2H3,(H,19,20,21,22)
InChIKeyLBZHHIICNNEPQG-UHFFFAOYSA-N
XLogP3.00
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine?
The IUPAC name of 1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine (CID 88542357) is 1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine?
The canonical SMILES for 1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine is Cc1cc(F)c(C(C)N)c(-c2ccccc2)c1-c1nn[nH]n1.
What is the InChIKey of 1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine?
The InChIKey is LBZHHIICNNEPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-9-8-12(17)14(10(2)18)15(11-6-4-3-5-7-11)13(9)16-19-21-22-20-16/h3-8,10H,18H2,1-2H3,(H,19,20,21,22).
What are the key properties of 1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine?
1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine has a molecular weight of 297.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-4-methyl-2-phenyl-3-(2H-tetrazol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 88542357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).