N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine

C12H16FN5 — CID 103084942

IUPACN-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1-c1cc(F)ccc1C
InChIInChI=1S/C12H16FN5/c1-4-14-9(3)12-15-16-17-18(12)11-7-10(13)6-5-8(11)2/h5-7,9,14H,4H2,1-3H3
InChIKeyVKYMZOVMSBQJAK-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.78
Rot. Bonds4

About N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine

N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine (PubChem CID 103084942) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
PubChem CID103084942
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC NameN-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1-c1cc(F)ccc1C
InChIInChI=1S/C12H16FN5/c1-4-14-9(3)12-15-16-17-18(12)11-7-10(13)6-5-8(11)2/h5-7,9,14H,4H2,1-3H3
InChIKeyVKYMZOVMSBQJAK-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine (CID 103084942) is N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine is CCNC(C)c1nnnn1-c1cc(F)ccc1C.
What is the InChIKey of N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine?
The InChIKey is VKYMZOVMSBQJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-4-14-9(3)12-15-16-17-18(12)11-7-10(13)6-5-8(11)2/h5-7,9,14H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine?
N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine has a molecular weight of 249.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103084942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).