1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine

C9H9BrFN5 — CID 103085118

IUPAC1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1-c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFN5/c1-5(12)9-13-14-15-16(9)8-3-2-6(11)4-7(8)10/h2-5H,12H2,1H3
InChIKeyARRVRNBDHQTSHD-UHFFFAOYSA-N
MW286.11 g/mol
LogP1.58
Rot. Bonds2

About 1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine

1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine (PubChem CID 103085118) has the molecular formula C9H9BrFN5 and a molecular weight of 286.11 g/mol. Its IUPAC name is 1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine
PubChem CID103085118
Molecular FormulaC9H9BrFN5
Molecular Weight286.11 g/mol
Exact Mass285.00
IUPAC Name1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1-c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFN5/c1-5(12)9-13-14-15-16(9)8-3-2-6(11)4-7(8)10/h2-5H,12H2,1H3
InChIKeyARRVRNBDHQTSHD-UHFFFAOYSA-N
XLogP1.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromo-4-fluorophenyl)tetrazol-5-amine
CID 79506302
4-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61353601
1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084917
1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride
CID 122714845
1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103085965
1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103086014
1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085100
1-(2-bromophenyl)-5-propan-2-yltetrazole
CID 62076489
1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 114704000
1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084941
1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 103084945
1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 82227906

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine (CID 103085118) is 1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine is CC(N)c1nnnn1-c1ccc(F)cc1Br.
What is the InChIKey of 1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine?
The InChIKey is ARRVRNBDHQTSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN5/c1-5(12)9-13-14-15-16(9)8-3-2-6(11)4-7(8)10/h2-5H,12H2,1H3.
What are the key properties of 1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine?
1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine has a molecular weight of 286.11 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103085118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).