N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine

C12H16FN5 — CID 62735534

IUPACN-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1-c1cc(F)ccc1C
InChIInChI=1S/C12H16FN5/c1-3-6-14-8-12-15-16-17-18(12)11-7-10(13)5-4-9(11)2/h4-5,7,14H,3,6,8H2,1-2H3
InChIKeyHEYNNZXOUBUMBY-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.61
Rot. Bonds5

About N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine

N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62735534) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62735534
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC NameN-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1-c1cc(F)ccc1C
InChIInChI=1S/C12H16FN5/c1-3-6-14-8-12-15-16-17-18(12)11-7-10(13)5-4-9(11)2/h4-5,7,14H,3,6,8H2,1-2H3
InChIKeyHEYNNZXOUBUMBY-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109003
N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62763326
N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107639463
1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736655
N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 55109239
N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737927
N-[[1-(4-chloro-2-iodophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 107639450
N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107639471
N-[[1-(2-chloro-5-iodophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 114261278
N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084942
N-[[1-(2,3,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62813971
N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736639

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine (CID 62735534) is N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine is CCCNCc1nnnn1-c1cc(F)ccc1C.
What is the InChIKey of N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is HEYNNZXOUBUMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-3-6-14-8-12-15-16-17-18(12)11-7-10(13)5-4-9(11)2/h4-5,7,14H,3,6,8H2,1-2H3.
What are the key properties of N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine?
N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 249.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62735534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).