N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine

C11H13BrFN5O — CID 107639463

IUPACN-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1-c1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFN5O/c1-19-5-4-14-7-11-15-16-17-18(11)10-6-8(13)2-3-9(10)12/h2-3,6,14H,4-5,7H2,1H3
InChIKeyORXHMXADDDFUED-UHFFFAOYSA-N
MW330.16 g/mol
LogP1.30
Rot. Bonds6

About N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine

N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 107639463) has the molecular formula C11H13BrFN5O and a molecular weight of 330.16 g/mol. Its IUPAC name is N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID107639463
Molecular FormulaC11H13BrFN5O
Molecular Weight330.16 g/mol
Exact Mass329.03
IUPAC NameN-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1-c1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFN5O/c1-19-5-4-14-7-11-15-16-17-18(11)10-6-8(13)2-3-9(10)12/h2-3,6,14H,4-5,7H2,1H3
InChIKeyORXHMXADDDFUED-UHFFFAOYSA-N
XLogP1.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737942
N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107639471
N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735534
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737012
N-[[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 65499863
N-[[1-(2-bromo-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 107627583
N-[[1-(2-chloro-5-methoxyphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62761180
N-[[1-(3-bromo-5-methylphenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107579337
N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 55109241
N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 81275457
N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107464810
N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62994447

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine (CID 107639463) is N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1nnnn1-c1cc(F)ccc1Br.
What is the InChIKey of N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is ORXHMXADDDFUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN5O/c1-19-5-4-14-7-11-15-16-17-18(11)10-6-8(13)2-3-9(10)12/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine?
N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 330.16 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107639463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).