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

C12H15BrFN5 — CID 107639471

IUPACN-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnnn1-c1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFN5/c1-8(2)6-15-7-12-16-17-18-19(12)11-5-9(14)3-4-10(11)13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyWRMYAJPBEHUZIS-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.31
Rot. Bonds5

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

N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107639471) has the molecular formula C12H15BrFN5 and a molecular weight of 328.19 g/mol. Its IUPAC name is N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID107639471
Molecular FormulaC12H15BrFN5
Molecular Weight328.19 g/mol
Exact Mass327.05
IUPAC NameN-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnnn1-c1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFN5/c1-8(2)6-15-7-12-16-17-18-19(12)11-5-9(14)3-4-10(11)13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyWRMYAJPBEHUZIS-UHFFFAOYSA-N
XLogP2.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107639463
N-[[1-(2-bromo-4,6-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62737789
N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62763143
N-[[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62738119
2-methyl-N-[[1-(2,4,6-tribromophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735899
N-[[1-(2-bromo-5-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107627681
N-[[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109541
N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 81275457
N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735534
N-[[1-(3-bromo-5-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107579345
N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62762234
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 N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine (CID 107639471) is N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nnnn1-c1cc(F)ccc1Br.
What is the InChIKey of N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is WRMYAJPBEHUZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN5/c1-8(2)6-15-7-12-16-17-18-19(12)11-5-9(14)3-4-10(11)13/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 328.19 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107639471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).