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

C11H14FN5 — CID 103085331

IUPAC1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1CCc1ccc(F)cc1
InChIInChI=1S/C11H14FN5/c1-8(13)11-14-15-16-17(11)7-6-9-2-4-10(12)5-3-9/h2-5,8H,6-7,13H2,1H3
InChIKeyBWBRACGEGHCDQK-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.07
Rot. Bonds4

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

1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine (PubChem CID 103085331) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine
PubChem CID103085331
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1CCc1ccc(F)cc1
InChIInChI=1S/C11H14FN5/c1-8(13)11-14-15-16-17(11)7-6-9-2-4-10(12)5-3-9/h2-5,8H,6-7,13H2,1H3
InChIKeyBWBRACGEGHCDQK-UHFFFAOYSA-N
XLogP1.07
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085817
1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine
CID 103086687
N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
CID 103085404
1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
CID 171668554
1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213474
1-[1-(4-methylsulfanylbutyl)tetrazol-5-yl]ethanamine
CID 103086948
1-(4-fluorophenyl)-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 1449076
1-[(1S)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]-4-[(1R)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 98111409
1-[1-(3-methylsulfinylbutyl)tetrazol-5-yl]ethanamine
CID 103086966
N-ethyl-1-[1-[2-(4-nitrophenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085672
1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-methylpiperazine
CID 3209809
1-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-methylpiperazine
CID 1446512

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine (CID 103085331) is 1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine is CC(N)c1nnnn1CCc1ccc(F)cc1.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine?
The InChIKey is BWBRACGEGHCDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-8(13)11-14-15-16-17(11)7-6-9-2-4-10(12)5-3-9/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine?
1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine has a molecular weight of 235.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103085331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).