4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine

C12H16FN5 — CID 10014951

IUPAC4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine
SMILESCC(Cc1ccc(F)cc1)C(CN)c1nn[nH]n1
InChIInChI=1S/C12H16FN5/c1-8(6-9-2-4-10(13)5-3-9)11(7-14)12-15-17-18-16-12/h2-5,8,11H,6-7,14H2,1H3,(H,15,16,17,18)
InChIKeyBEUMHFOOMTZNDC-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.26
Rot. Bonds5

About 4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine

4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine (PubChem CID 10014951) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine
PubChem CID10014951
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC Name4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine
SMILESCC(Cc1ccc(F)cc1)C(CN)c1nn[nH]n1
InChIInChI=1S/C12H16FN5/c1-8(6-9-2-4-10(13)5-3-9)11(7-14)12-15-17-18-16-12/h2-5,8,11H,6-7,14H2,1H3,(H,15,16,17,18)
InChIKeyBEUMHFOOMTZNDC-UHFFFAOYSA-N
XLogP1.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine?
The IUPAC name of 4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine (CID 10014951) is 4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine?
The canonical SMILES for 4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine is CC(Cc1ccc(F)cc1)C(CN)c1nn[nH]n1.
What is the InChIKey of 4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine?
The InChIKey is BEUMHFOOMTZNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-8(6-9-2-4-10(13)5-3-9)11(7-14)12-15-17-18-16-12/h2-5,8,11H,6-7,14H2,1H3,(H,15,16,17,18).
What are the key properties of 4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine?
4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine has a molecular weight of 249.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine is sourced from PubChem (CID 10014951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).