1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine

C13H18FN5O — CID 103086789

IUPAC1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1-c1ccc(OCC)c(F)c1
InChIInChI=1S/C13H18FN5O/c1-4-15-9(3)13-16-17-18-19(13)10-6-7-12(20-5-2)11(14)8-10/h6-9,15H,4-5H2,1-3H3
InChIKeyIXBAXZQJHMRGFR-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.87
Rot. Bonds6

About 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine

1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine (PubChem CID 103086789) has the molecular formula C13H18FN5O and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
PubChem CID103086789
Molecular FormulaC13H18FN5O
Molecular Weight279.32 g/mol
Exact Mass279.15
IUPAC Name1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1-c1ccc(OCC)c(F)c1
InChIInChI=1S/C13H18FN5O/c1-4-15-9(3)13-16-17-18-19(13)10-6-7-12(20-5-2)11(14)8-10/h6-9,15H,4-5H2,1-3H3
InChIKeyIXBAXZQJHMRGFR-UHFFFAOYSA-N
XLogP1.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086450
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 113399822
N-[1-[1-(3,4-difluorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085104
N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
CID 103085163
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]-N-ethylethanamine
CID 103084725
1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085100
N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084942
1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086766
N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 107623260
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103086014
N-[[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62737032

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine (CID 103086789) is 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine is CCNC(C)c1nnnn1-c1ccc(OCC)c(F)c1.
What is the InChIKey of 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine?
The InChIKey is IXBAXZQJHMRGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5O/c1-4-15-9(3)13-16-17-18-19(13)10-6-7-12(20-5-2)11(14)8-10/h6-9,15H,4-5H2,1-3H3.
What are the key properties of 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine?
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine has a molecular weight of 279.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 103086789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).