1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine

C16H15F2N5 — CID 22349895

IUPAC1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine
SMILESCC(N)c1ccc(-c2cccc(F)c2-c2nnn(C)n2)cc1F
InChIInChI=1S/C16H15F2N5/c1-9(19)11-7-6-10(8-14(11)18)12-4-3-5-13(17)15(12)16-20-22-23(2)21-16/h3-9H,19H2,1-2H3
InChIKeyQNNNZAYYRMIHBZ-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.84
Rot. Bonds3

About 1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine

1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine (PubChem CID 22349895) has the molecular formula C16H15F2N5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine
PubChem CID22349895
Molecular FormulaC16H15F2N5
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine
SMILESCC(N)c1ccc(-c2cccc(F)c2-c2nnn(C)n2)cc1F
InChIInChI=1S/C16H15F2N5/c1-9(19)11-7-6-10(8-14(11)18)12-4-3-5-13(17)15(12)16-20-22-23(2)21-16/h3-9H,19H2,1-2H3
InChIKeyQNNNZAYYRMIHBZ-UHFFFAOYSA-N
XLogP2.84
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine (CID 22349895) is 1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine is CC(N)c1ccc(-c2cccc(F)c2-c2nnn(C)n2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine?
The InChIKey is QNNNZAYYRMIHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5/c1-9(19)11-7-6-10(8-14(11)18)12-4-3-5-13(17)15(12)16-20-22-23(2)21-16/h3-9H,19H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine?
1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine has a molecular weight of 315.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethanamine is sourced from PubChem (CID 22349895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).