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

C11H14FN5 — CID 103084941

IUPAC1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nnnn1-c1cc(F)ccc1C
InChIInChI=1S/C11H14FN5/c1-7-4-5-9(12)6-10(7)17-11(8(2)13-3)14-15-16-17/h4-6,8,13H,1-3H3
InChIKeyIQOOCEJYHRSQHG-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.39
Rot. Bonds3

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

1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine (PubChem CID 103084941) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine
PubChem CID103084941
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nnnn1-c1cc(F)ccc1C
InChIInChI=1S/C11H14FN5/c1-7-4-5-9(12)6-10(7)17-11(8(2)13-3)14-15-16-17/h4-6,8,13H,1-3H3
InChIKeyIQOOCEJYHRSQHG-UHFFFAOYSA-N
XLogP1.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084942
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084956
1-[1-(2,5-dimethyl-4-nitrophenyl)tetrazol-5-yl]-N-methylethanamine
CID 103145735
1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085100
1-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103086418
1-[1-(5-bromo-2-iodophenyl)tetrazol-5-yl]-N-methylethanamine
CID 114261284
N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085187
N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735534
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103085062
1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine
CID 79500698
1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431522
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084830

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine (CID 103084941) is 1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine is CNC(C)c1nnnn1-c1cc(F)ccc1C.
What is the InChIKey of 1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine?
The InChIKey is IQOOCEJYHRSQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-7-4-5-9(12)6-10(7)17-11(8(2)13-3)14-15-16-17/h4-6,8,13H,1-3H3.
What are the key properties of 1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine?
1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine has a molecular weight of 235.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 103084941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).